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(5R,8S,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione

HCID 222796
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Basic information

CAS
59962-27-5
Standard SMILES
C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(C)O
InChIKey
SLGYIGUMKJYZLP-PVIBPHBRSA-N
Molecular formula
C20H30O3
Average molar mass
318.4 g/mol
Monoisotopic mass
318.21949481

Names & identifiers

Preferred name
(5R,8S,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
IUPAC
(5R,8S,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione

Names & synonyms

MLS00263809959962-27-5NSC9723NSC-9723

Database identifiers

CAS
59962-27-5
PubChem CID
222796

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
23
Formal charge
0
Complexity
569

Related reactions

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Compound notes

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