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Reference substances

Reference substances

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General information

Inventory

EC number:
206-236-2
EC name:
Cholesta-5,24-dien-3-β-ol
CAS number:
313-04-2

No inventory information available

Reference substance information

IUPAC name:
cholesta-5,24-dien-3-ol
Synonyms
Names:
cholesta-5,24-dien-3-beta-ol
Identifier:
IUPAC name
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Identifier:
IUPAC name
cholesta-5,24-dien-3-ol
Identifier:
other: SMILES notation
C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Identifier:
other: InChl
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3

CAS information

CAS number:
313-04-2

Molecular and structural information

Molecular formula:
C27H44O
Molecular weight:
384.64
SMILES notation:
CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChl:
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Structural formula:
Chemical structure