(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(3R,5S,8R,9S,10R,13S,14S)-2,2,3,4,4-pentadeuterio-10,13-dimethyl-17-oxo-5,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Molecular Formula:
C25H38O8
InChI: InChI=1/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1/i7D2,11D2,13D/f/h30H
InChIKey: InChIKey=VFUIRAVTUVCQTF-YFXSMUMUHA
SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OC5C(C(C(C(O5)C(=O)O)O)O)O
Names:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(3R,5S,8R,9S,10R,13S,14S)-2,2,3,4,4-pentadeuterio-10,13-dimethyl-17-oxo-5,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Registries:
PubChem CID 11488260
PubChem ID 16589946
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