Betavulgaroside VIII

CAS Registry Number®

178535-52-9

CAS Name

Betavulgaroside VIII

Molecular Formula

C46H68O20

Molecular Mass

941.02

Cite this Page

Betavulgaroside VIII.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178535-52-9 (retrieved 2024-11-13) (CAS RN: 178535-52-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H68O20/c1-20-9-14-46(41(60)66-39-30(52)29(51)28(50)23(18-47)62-39)16-15-44(5)21(22(46)17-20)7-8-25-43(4)12-11-26(42(2,3)24(43)10-13-45(25,44)6)63-40-32(54)34(31(53)35(65-40)37(58)59)64-38(33(55)36(56)57)61-19-27(48)49/h7,22-26,28-35,38-40,47,50-55H,1,8-19H2,2-6H3,(H,48,49)(H,56,57)(H,58,59)/t22-,23+,24-,25+,26-,28+,29-,30+,31-,32+,33+,34-,35-,38-,39-,40+,43-,44+,45+,46-/m0/s1

InChIKey

InChIKey=JFNPDXITRQKPBX-YMMZPDNSSA-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(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@H](OCC(O)=O)[C@@H](C(O)=O)O)[C@H](O)[C@@H](C(O)=O)O7)CC6)[H])[H])(CC(=C)CC3)[H]

Canonical SMILES

O=C(O)COC(OC1C(O)C(OC(C(=O)O)C1O)OC2CCC3(C)C4CC=C5C6CC(=C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)C)C(O)C(=O)O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-[(1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-
  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-, [S-(R*,R*)]-
  • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxo-30-noroleana-12,20(29)-dien-3-yl 3-O-[(1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-β-D-glucopyranosiduronic acid
  • Betavulgaroside VIII

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles