Pregnanetriolone , CAS No.603-99-6

Item Number
P342609
Grouped product items
SKUSizeAvailabilityPrice Qty
P342609-1mg
1mg
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$427.90

Basic Description

Synonyms11-Ketopregnanetriol | UNII-9K506VY344 | NSC 79097 | 5.beta.-Pregnan-11-one,17,20.alpha.-trihydroxy- | CHEBI:79870 | 3.alpha.,17.alpha.,20.alpha.-Trihydroxy-5.beta.-pregnan-11-one | 3.alpha.,20.alpha.-Trihydroxy-5.beta.-pregnan-11-one | BCP23448 | DTXSID0
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Names and Identifiers

IUPAC Name (3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
INCHI InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-16,18,22-23,25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21-/m0/s1
InChi Key WKFXHNDWEHDGQD-ZQRGSSBZSA-N
Canonical SMILES CC(C1(CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C)O)O
Isomeric SMILES C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O
PubChem CID 254631
Molecular Weight 350.49

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