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Reference substances

Reference substances

IUPAC name:
1-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.0^{2,7}.0^{4,6}.0^{11,16}]octadec-16-en-6-yl]ethan-1-one

Inventory

EC number:
213-548-2
EC name:
16-α,17-α-epoxy-3-β-hydroxypregn-5-en-20-one
CAS number:
974-23-2
CAS number:
974-23-2
Synonyms
Names:
16-alpha,17-alpha-epoxy-3-beta-hydroxypregn-5-en-20-one
3-hydroxy-16,17-epoxypregn-5-en-20-one

Molecular and structural information

Molecular formula:
C21H30O3
Molecular weight:
330.461
SMILES notation:
CC(=O)[C@@]12O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C
InChl:
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3
Structural formula:
Chemical structure

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