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Reference substances

Reference substances

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IUPAC name:
(3aS,3bR,5aS,9aS,9bS,11aS)-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate

Inventory

CAS number:
50588-42-6
Synonyms
Names:
(5α)-Androsta-2,16-dien-17-yl acetate

Molecular and structural information

Molecular formula:
C21H30O2
Molecular weight:
314.46
SMILES notation:
CC(=O)OC1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC=CC4)C)C
InChl:
InChI=1S/C21H30O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h4-5,10,15-18H,6-9,11-13H2,1-3H3/t15-,16+,17+,18+,20+,21+/m1/s1
Structural formula:
Chemical structure

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