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(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

HCID 150992
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
2294-17-9
Standard SMILES
CC1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChIKey
ZCAYUOKEIPMTMF-SRYLXOBDSA-N
Molecular formula
C22H32O5
Average molar mass
376.5 g/mol
Monoisotopic mass
376.22497412

Names & identifiers

Preferred name
(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC
(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Names & synonyms

11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dioneDTXSID50945619(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one11alpha,17,21-Trihydroxy-16-methylpregn-4-ene-3,20-dione

Database identifiers

CAS
2294-17-9
PubChem CID
150992
DTXSID
DTXSID50945619

Properties

Computed structural properties

XLogP
2
Topological polar surface area
94.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
27
Formal charge
0
Complexity
713

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Compound notes

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