Vitas-M small molecule compound

(8R,9S,10R,13S,14S,17R)-3-methoxy-10,13-dimethyl-1,2,3',4',7,8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one

Catalog ID
STK801966
SMILES COC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@]21CCC(=O)O2)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C23H32O3 MW 356.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32O3/c1-21-10-6-16(25-3)14-15(21)4-5-17-18(21)7-11-22(2)19(17)8-12-23(22)13-9-20(24)26-23/h4,14,17-19H,5-13H2,1-3H3/t17-,18+,19+,21+,22+,23-/m1/s1
InChIKey
OKMHWOWJDRPCCT-PZCAJWILSA-N
Synonyms
20802-57-7
(17R)17HYDROXY3METHOXYPREGNA35DIENE21CARBOXYLICACIDGAMMALACTONE
(2R8R10R13S)3methoxy1013dimethyl1278910111213141516dodecahydro3Hspiro(cyclopenta(a)phenanthrene172furan)5(4H)one
(8R9S10R13S14S17R)3methoxy1013dimethyl123478910111213141516tetradecahydro5Hspiro(cyclopenta(a)phenanthrene172furan)5one
(8R9S10R13S14S17R)3methoxy1013dimethylspiro(127891112141516decahydrocyclopenta(a)phenanthrene175oxolane)2one
20802577
CC12CCC(=CC1=CCC3C2CCC4(C3CCC45CCC(=O)O5)C)OC
COC1=CC2=CC(C@@H)3(C@@H)((C@)2(CC1)C)CC(C@)1((C@H)3CC(C@)21CCC(=O)O2)C
COC1=CC2=CC(C@@H)3C((C@)2(CC1)C)CC(C@)1(C3CC(C@)21CCC(=O)O2)C
InChI=1SC23H32O3c12110616(253)1415(21)451718(21)71122(2)19(17)81223(22)13920(24)2623h4141719H513H213H3t1718+19+21+22+23m1s1
MFCD09859136
ZINC000003881696
ZINC03881696
ZINC3881696

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Available files

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