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Reference substances

Reference substances

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General information

Inventory

EC number:
249-070-6
EC name:
Methyl 3-α,7-α-diacetoxy-12-oxo-5-β-cholan-24-oate
CAS number:
28535-81-1

No inventory information available

Reference substance information

IUPAC name:
methyl 4-[5,9-bis(acetyloxy)-2,15-dimethyl-16-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoate
Synonyms
Names:
Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-oxo-, methyl ester, (3alpha,5beta,7alpha)-
methyl 3,7-diacetoxy-12-oxocholan-24-oate

CAS information

CAS number:
28535-81-1

Molecular and structural information

Molecular formula:
C29H44O7
Molecular weight:
504.656
SMILES notation:
COC(=O)CCC(C)C1CCC2C3C(CC4CC(CCC4(C)C3CC(=O)C12C)OC(=O)C)OC(=O)C
InChl:
InChI=1/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3
Structural formula:
Chemical structure