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* Service & Products of Interested: [Isotope Labeled Steroids] 3-Acetoxycholesta-3,5-diene-[d4] (72560-61-3)
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3-Acetoxycholesta-3,5-diene-[d4]

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General Information
Catalog: BLP-002679
CAS: 72560-61-3
Molecular Formula: C29H42D4O2
Molecular Weight: 430.70

Chemical Structure

Synonyms	3-Acetoxycholesta-3,5-diene D4; [2H4]-3-Acetoxycholesta-3,5-diene
IUPAC Name	[(8S,9S,10R,13R,14S,17R)-2,2,4,6-tetradeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Related CAS	2309-32-2 (unlabelled)
Canonical SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=C4)OC(=O)C)C)C
InChI	InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,18-20,24-27H,7-9,11-17H2,1-6H3/t20-,24+,25-,26+,27+,28+,29-/m1/s1/i10D,14D2,18D
InChI Key	DGCXQKBLGRZRTK-DTYCIIIOSA-N
Melting Point	78-79 °C