[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5S,6R)-4-methoxy-5-[(2S,4R,5S,6R)-4-methoxy-5-[(2S,4R,5S,6R)-4-methoxy-5-[(2S,4S,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
Molecular Formula:
C64H96O23
InChI: InChI=1/C64H96O23/c1-32(66)40-21-24-64(72)62(40,7)47(83-48(67)18-17-37-15-13-12-14-16-37)30-46-61(6)22-20-39(25-38(61)19-23-63(46,64)71)81-49-26-41(73-8)56(33(2)77-49)84-50-27-42(74-9)57(34(3)78-50)85-51-28-43(75-10)58(35(4)79-51)86-52-29-44(76-11)59(36(5)80-52)87-60-55(70)54(69)53(68)45(31-65)82-60/h12-19,33-36,39-47,49-60,65,68-72H,20-31H2,1-11H3/b18-17+/t33-,34-,35-,36-,39+,40+,41+,42-,43-,44+,45-,46-,47-,49+,50+,51+,52+,53-,54+,55-,56-,57-,58-,59-,60+,61+,62+,63+,64-/m1/s1
InChIKey: InChIKey=JAMMHVQTGWZESN-ACOFHBRPBH
SMILES: CC1C(C(CC(O1)OC2CCC3(C4CC(C5(C(CCC5(C4(CC=C3C2)O)O)C(=O)C)C)OC(=O)C=CC6=CC=CC=C6)C)OC)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)OC)OC)OC
Names:
[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14-dihydroxy-3-[(2R,4S,5S,6R)-4-methoxy-5-[(2S,4R,5S,6R)-4-methoxy-5-[(2S,4R,5S,6R)-4-methoxy-5-[(2S,4S,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
Registries:
PubChem CID 10441410
PubChem ID 15461245
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