Olean-12-ene-28,29-dioic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-23-hydroxy-, 28-β-D-glucopyranosyl 29-methyl ester, (3β,4α,20β)-

CAS Registry Number®

329327-65-3

CAS Name

Olean-12-ene-28,29-dioic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-23-hydroxy-, 28-β-D-glucopyranosyl 29-methyl ester, (3β,4α,20β)-

Molecular Formula

C54H86O25

Molecular Mass

1135.25

Cite this Page

Olean-12-ene-28,29-dioic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-23-hydroxy-, 28-β-D-glucopyranosyl 29-methyl ester, (3β,4α,20β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=329327-65-3 (retrieved 2024-11-13) (CAS RN: 329327-65-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H86O25/c1-49(47(69)71-6)13-15-54(48(70)79-45-39(67)36(64)33(61)27(19-56)74-45)16-14-52(4)23(24(54)17-49)7-8-30-50(2)11-10-31(51(3,22-58)29(50)9-12-53(30,52)5)76-46-42(37(65)34(62)28(20-57)75-46)78-43-40(68)41(25(59)21-72-43)77-44-38(66)35(63)32(60)26(18-55)73-44/h7,24-46,55-68H,8-22H2,1-6H3/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,49-,50-,51-,52+,53+,54-/m0/s1

InChIKey

InChIKey=AYZUQIMPXXZWAI-FGQUNQBMSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)([C@@](CO)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)CO8)[C@@H](O)[C@H](O)[C@@H](CO)O7)CC6)[H])[H])(C[C@](C(OC)=O)(C)CC3)[H]

Canonical SMILES

O=C(OC)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC4(C(=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(C)(CO)C6CCC54C)C2C1)C

Other Names for this Substance

  • Olean-12-ene-28,29-dioic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-23-hydroxy-, 28-β-D-glucopyranosyl 29-methyl ester, (3β,4α,20β)-

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