(3S,8R,9R,10S,14R,16S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-16-hydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one
Molecular Formula:
C42H70O13
InChI: InChI=1/C42H70O13/c1-20(2)11-10-14-42(9,51)29-23(45)18-41(8)28(29)22(44)17-26-39(6)15-13-27(38(4,5)25(39)12-16-40(26,41)7)54-37-35(33(49)31(47)24(19-43)53-37)55-36-34(50)32(48)30(46)21(3)52-36/h11,21,23-37,43,45-51H,10,12-19H2,1-9H3/t21-,23-,24+,25u,26+,27-,28u,29?,30-,31+,32+,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
InChIKey: InChIKey=LCFYKMVVAVGCEZ-UTAHMVIABN
SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4CC(=O)C6C5(CC(C6C(C)(CCC=C(C)C)O)O)C)C)C)CO)O)O)O)O)O
Names:
(3S,8R,9R,10S,14R,16S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-16-hydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one
Registries:
PubChem CID 10581097
PubChem ID 15609214
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