CAS No.: 469-61-4 — alpha-Cedrene (alpha-柏木烯)

1. Primary Information

English name:	alpha-Cedrene
CAS No.:	469-61-4
Molecular formula:	C₁₅H₂₄
Molecular weight:	204.35 g/mol
SMILES:	CC1CCC2C13CC=C(C(C3)C2(C)C)C
Structural class:
Other identifiers:	alpha-cedrene beta-cedrene cedrene cedrone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	GC≥95%(sum of enantiomers)	1152	2-8℃	in stock	-
Kehua Intelligence	1g	≥95% (sum of enantiomers)	240	2-8℃	in stock	-
Kehua Intelligence	5g	≥95% (sum of enantiomers)	560	2-8℃	in stock	-
Kehua Intelligence	25g	≥95% (sum of enantiomers)	1200	2-8℃	in stock	-
Kehua Intelligence	100g	≥95% (sum of enantiomers)	3040	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 39 41 0 1 0 0 0 0 0999 V2000 -0.8227 -0.4957 0.1569 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4285 0.8219 -0.5993 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9237 1.3029 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3742 0.0593 0.8538 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0308 -0.4280 1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3451 -0.3819 0.4159 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6591 1.7219 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -1.7389 -0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 0.7241 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -1.0637 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 2.5332 0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 1.6958 -1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -1.8811 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 -1.6504 0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4499 -1.2195 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2933 0.5921 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 0.3252 1.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 -1.3968 1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3695 0.2849 2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5065 -0.0206 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 2.4479 -1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 2.2693 0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7436 -1.6949 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 -2.6558 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7528 1.1749 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 0.3390 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 2.7914 1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4453 3.4108 0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1133 2.3701 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 0.9024 -1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 2.5793 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 1.9355 -0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5534 -2.6894 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1174 -2.0454 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8295 -2.4267 0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 -1.4497 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7735 -2.0456 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8113 -1.4240 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 -0.3085 -0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 13 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene

4.2 InChI

InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1

4.3 InChIKey

IRAQOCYXUMOFCW-OSFYFWSMSA-N

4.4 Canonical SMILES

CC1CCC2C13CC=C(C(C3)C2(C)C)C

4.5 Isomeric SMILES

C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C

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)