β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(carboxyacetyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-

CAS Registry Number®

333334-36-4

CAS Name

β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(carboxyacetyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-

Molecular Formula

C51H80O21

Molecular Mass

1029.17

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(carboxyacetyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=333334-36-4 (retrieved 2024-11-15) (CAS RN: 333334-36-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H80O21/c1-22-32(57)34(59)38(63)43(66-22)71-40-35(60)33(58)25(20-52)67-44(40)72-41-37(62)36(61)39(42(64)65)70-45(41)69-28-12-13-48(5)26(49(28,6)21-53)11-14-51(8)27(48)10-9-23-24-18-46(2,3)19-29(68-31(56)17-30(54)55)47(24,4)15-16-50(23,51)7/h9,22,24-29,32-41,43-45,52-53,57-63H,10-21H2,1-8H3,(H,54,55)(H,64,65)/t22-,24-,25+,26+,27+,28-,29+,32-,33-,34+,35-,36-,37-,38+,39-,40+,41+,43-,44-,45+,47+,48-,49+,50+,51+/m0/s1

InChIKey

InChIKey=UZZVCPOZXWRBFO-RLKJELOKSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@](CO)(C)[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(CC=C7[C@@]2(C)CC[C@]8(C)[C@]7(CC(C)(C)C[C@H]8OC(CC(O)=O)=O)[H])[H]

Canonical SMILES

O=C(O)CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7OC8OC(C)C(O)C(O)C8O)C(C)(CO)C5CCC4(C)C3(C)CCC12C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(carboxyacetyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-
  • Pisumsaponin I

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles