CAS No.: 87173-80-6 — 5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid ((±)-顺式-5,6-环氧-8(Z),11(Z),14(Z)-二十碳三烯酸)

1. Primary Information

English name:	5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid
CAS No.:	87173-80-6
Molecular formula:	C₂₀H₃₂O₃
Molecular weight:	320.5 g/mol
SMILES:	CCCCCC=CCC=CCC=CCC1C(O1)CCCC(=O)O
Structural class:
Other identifiers:	5(6)-oxido-8,11,14-eicosatrienoic acid 5(6)-oxidoeicosatrienoic acid 5(6)epoxyeicosatrienoic acid 5,6-EET 5,6-epoxy-8,11,14-eicosatrienoic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1mg	In Ethanol	6000	−80°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 55 55 0 1 0 0 0 0 0999 V2000 -2.2942 -3.2221 0.7285 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0315 -1.1479 0.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0361 -0.9021 -1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 -2.8579 0.5578 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0180 -1.8401 0.4667 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2841 -3.4055 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 -0.9179 1.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -2.5192 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6235 -0.1913 1.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -2.2736 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7667 0.9930 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 -1.3773 -0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7028 1.8144 0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9139 2.0674 -1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8392 1.7905 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6238 2.1447 1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 2.7116 -0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 1.1829 2.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 1.6587 -2.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 0.8960 -2.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 2.3465 -1.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4426 1.5372 -2.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 1.5118 4.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2888 -2.8907 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 -1.4361 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1277 -4.3955 -0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0338 -3.5605 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4795 -0.2152 1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3263 -1.4805 2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2318 -2.9915 -2.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 -1.5606 -1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4966 -0.6643 1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -3.2265 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5866 -1.7813 0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7677 1.4224 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7127 1.4203 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 2.7985 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8076 2.6125 -1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9108 1.8273 0.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5115 0.7576 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9594 3.1725 2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.1079 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 3.7408 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 2.7449 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 0.1531 2.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 1.2312 2.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7273 -0.5610 -0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3312 1.8926 -3.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9175 -0.0566 -2.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5877 0.5991 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 2.7583 -2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 1.4383 4.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 0.8132 4.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4816 2.5257 4.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6561 1.3334 -3.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 12 1 0 0 0 0 2 47 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 5 7 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 2 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 19 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 55 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4-[3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid

4.2 InChI

InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-

4.3 InChIKey

VBQNSZQZRAGRIX-QNEBEIHSSA-N

4.4 Canonical SMILES

CCCCCC=CCC=CCC=CCC1C(O1)CCCC(=O)O

4.5 Isomeric SMILES

CCCCC/C=C\C/C=C\C/C=C\CC1C(O1)CCCC(=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)