Betavulgaroside VI

CAS Registry Number®

178535-50-7

CAS Name

Betavulgaroside VI

Molecular Formula

C47H72O21

Molecular Mass

973.06

Cite this Page

Betavulgaroside VI.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178535-50-7 (retrieved 2024-11-13) (CAS RN: 178535-50-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H72O21/c1-42(2)13-15-47(41(62)68-39-30(54)29(53)28(52)23(18-48)64-39)16-14-45(5)21(22(47)17-42)7-8-25-43(3)11-10-26(44(4,20-49)24(43)9-12-46(25,45)6)65-40-32(56)34(31(55)35(67-40)37(60)61)66-38(33(57)36(58)59)63-19-27(50)51/h7,22-26,28-35,38-40,48-49,52-57H,8-20H2,1-6H3,(H,50,51)(H,58,59)(H,60,61)/t22-,23+,24+,25+,26-,28+,29-,30+,31-,32+,33+,34-,35-,38-,39-,40+,43-,44-,45+,46+,47-/m0/s1

InChIKey

InChIKey=RUORMQGDEFZFBR-YTSKFGRQSA-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](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)(C)CC3)[H]

Canonical SMILES

O=C(O)COC(OC1C(O)C(OC(C(=O)O)C1O)OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)CO)C(O)C(=O)O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-3-yl 3-O-[(1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-
  • β-D-Glucopyranosiduronic acid, (3β,4α)-28-(β-D-glucopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-3-yl 3-O-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-, [S-(R*,R*)]-
  • (3β,4α)-28-(β-D-Glucopyranosyloxy)-23-hydroxy-28-oxoolean-12-en-3-yl 3-O-[(1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-β-D-glucopyranosiduronic acid
  • Betavulgaroside VI

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles