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3a(2)H-Cycloprop[1,2]pregna-1,4,6-triene-3,20-dione, 1,2-dihydro-17-hydroxy-, cyclic 20-(1,2-ethanediyl acetal), (1I(2),2I(2))-

HCID 165367141
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Basic information

CAS
1185267-29-1
Standard SMILES
CC1([C@@]2(O)CC[C@H]3[C@@H]4C=CC5=CC(=O)[C@@H]6C[C@@H]6[C@]5(C)[C@H]4CC[C@@]32C)OCCO1
InChIKey
DSUZJCNGRXKWHH-SZYUULFXSA-N
Molecular formula
C24H32O4
Average molar mass
384.5 g/mol
Monoisotopic mass
384.2300595

Names & identifiers

Preferred name
3a(2)H-Cycloprop[1,2]pregna-1,4,6-triene-3,20-dione, 1,2-dihydro-17-hydroxy-, cyclic 20-(1,2-ethanediyl acetal), (1I(2),2I(2))-
IUPAC
(1S,2S,3S,5R,11R,12S,15R,16S)-15-hydroxy-2,16-dimethyl-15-(2-methyl-1,3-dioxolan-2-yl)pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dien-6-one

Names & synonyms

DTXSID0011057701185267-29-13a(2)H-Cycloprop[1,2]pregna-1,4,6-triene-3,20-dione, 1,2-dihydro-17-hydroxy-, cyclic 20-(1,2-ethanediyl acetal), (1I(2),2I(2))-

Database identifiers

CAS
1185267-29-1
PubChem CID
165367141
DTXSID
DTXSID001105770

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
28
Formal charge
0
Complexity
807

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