2-[4-hydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol
Molecular Formula:
C54H90O22
InChI: InChI=1/C54H90O22/c1-23-33(59)36(62)40(66)46(70-23)76-44-42(68)43(75-47-41(67)38(64)35(61)28(73-47)21-69-45-39(65)37(63)34(60)26(19-55)71-45)27(20-56)72-48(44)74-32-12-13-51(6)29(50(32,4)5)11-14-52(7)30(51)10-9-24-25-17-49(2,3)15-16-54(25,22-57)31(58)18-53(24,52)8/h9,23,25-48,55-68H,10-22H2,1-8H3
InChIKey: InChIKey=XRVAIZXSTVHRLJ-UHFFFAOYAS
SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)C)C)CO)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O)O)O
Names:
2-[4-hydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol
Registries:
PubChem CID 418712
PubChem ID 10290523
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