CAS No.: 4675-61-0 — 9S,10R-methylene-octadecanoic acid (CIS-9,10-METHYLENEOCTADECANOIC ACID)

1. Primary Information

English name:	9S,10R-methylene-octadecanoic acid
CAS No.:	4675-61-0
Molecular formula:	C₁₉H₃₆O₂
Molecular weight:	296.5 g/mol
SMILES:	CCCCCCCCC1CC1CCCCCCCC(=O)O
Structural class:
Other identifiers:	9,10-methyleneoctadecanoic acid cis-9,10-methyleneoctadecanoic acid dihydrosterculic acid dihydrosterculic acid, (cis)-isomer dihydrosterculic acid, (trans)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	>99%；In solution	2480	−20°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 57 57 0 1 0 0 0 0 0999 V2000 5.5533 -0.2551 -0.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 -2.5060 -0.2382 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5957 0.6015 -0.5783 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2142 -0.7701 -1.0301 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6551 -0.4309 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 1.0023 0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5506 -1.6904 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1978 2.0699 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0758 -1.9490 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 1.6073 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 -2.9463 0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7811 2.6878 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0557 -3.2064 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5562 2.2411 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9827 -1.9914 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 3.3359 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -2.3247 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9671 2.9507 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3473 -1.0819 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 4.0458 -0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8078 -1.3902 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5426 1.4205 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8814 -0.9100 -2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1768 -0.8558 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 -0.3128 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2117 1.4751 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1016 0.2167 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6699 -1.4701 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 -2.6572 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0823 2.3455 1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5175 2.9758 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 -2.3386 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5309 -1.0054 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9509 1.3501 -0.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5303 0.7138 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5154 -2.5753 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 -3.8990 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 3.6087 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 2.9212 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4122 -3.9822 0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -3.6283 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4239 1.9904 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 1.3322 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8802 -1.5477 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 -1.2280 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 3.5754 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2557 4.2509 -0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 -2.8189 -0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8036 -3.0449 0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 2.0518 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8318 2.6944 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2659 -0.5905 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0162 -0.3840 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2051 4.3014 0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 3.7147 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 4.9515 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5002 -0.4467 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 57 1 0 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

8-[(1S,2R)-2-octylcyclopropyl]octanoic acid

4.2 InChI

InChI=1S/C19H36O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17-,18+/m1/s1

4.3 InChIKey

PDXZQLDUVAKMBQ-MSOLQXFVSA-N

4.4 Canonical SMILES

CCCCCCCCC1CC1CCCCCCCC(=O)O

4.5 Isomeric SMILES

CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)