Olean-12-en-28-oic acid, 3-(sulfooxy)-, 28-(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl) ester, (3β)-

CAS Registry Number®

99633-18-8

CAS Name

Olean-12-en-28-oic acid, 3-(sulfooxy)-, 28-(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl) ester, (3β)-

Molecular Formula

C54H88O26S

Molecular Mass

1185.33

Cite this Page

Olean-12-en-28-oic acid, 3-(sulfooxy)-, 28-(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl) ester, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99633-18-8 (retrieved 2024-11-24) (CAS RN: 99633-18-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H88O26S/c1-49(2)14-16-54(17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(80-81(69,70)71)50(3,4)29(51)10-13-53(30,52)7)48(68)79-46-42(67)38(63)35(60)28(77-46)22-73-47-43(39(64)33(58)26(20-56)75-47)78-45-41(66)37(62)34(59)27(76-45)21-72-44-40(65)36(61)32(57)25(19-55)74-44/h8,24-47,55-67H,9-22H2,1-7H3,(H,69,70,71)

InChIKey

InChIKey=ZUXZMGHPLSOYHC-UHFFFAOYSA-N

SMILES

C(OC1OC(COC2C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C(CO)O2)C(O)C(O)C1O)(=O)C56C(C=7C(C)(CC5)C8(C)C(CC7)C9(C)C(CC8)C(C)(C)C(OS(=O)(=O)O)CC9)CC(C)(C)CC6

Canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C1O)C56CCC(C)(C)CC6C7=CCC8C9(C)CCC(OS(=O)(=O)O)C(C)(C)C9CCC8(C)C7(C)CC5

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-(sulfooxy)-, 28-(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl) ester, (3β)-
  • Rotundioside B

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