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Reference substances

Reference substances

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General information

Inventory

EC number:
209-305-5
EC name:
Cholesta-3,5-dien-7-one
CAS number:
567-72-6

No inventory information available

Reference substance information

IUPAC name:
cholesta-3,5-dien-7-one
Synonyms
Names:
cholesta-3,5-dien-7-one
Identifier:
IUPAC name
(20R)-cholesta-3,5-dien-7-one
Identifier:
other: InChl
InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25+,26+,27-/m1/s1

CAS information

CAS number:
567-72-6

Molecular and structural information

Molecular formula:
C27H42O
Molecular weight:
382.622
SMILES notation:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CCC=CC4=CC3=O
InChl:
InChI=1/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3
Structural formula:
Chemical structure