(3β,4β,21β,22β)-21,22,23-Trihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid

CAS Registry Number®

168288-04-8
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CAS Name

(3β,4β,21β,22β)-21,22,23-Trihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid

Molecular Formula

C42H68O15

Molecular Mass

812.98

Cite this Page

(3β,4β,21β,22β)-21,22,23-Trihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=168288-04-8 (retrieved 2024-09-19) (CAS RN: 168288-04-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H68O15/c1-37(2)16-20-19-8-9-23-39(4)12-11-24(40(5,18-44)22(39)10-13-42(23,7)41(19,6)15-14-38(20,3)33(51)32(37)50)55-36-31(28(48)27(47)30(56-36)34(52)53)57-35-29(49)26(46)25(45)21(17-43)54-35/h8,20-33,35-36,43-51H,9-18H2,1-7H3,(H,52,53)/t20-,21+,22+,23+,24-,25-,26-,27-,28-,29+,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1

InChIKey

InChIKey=TWUOPSPDYDPTLF-XFRZXMSQSA-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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(CC=C6[C@@]2(C)CC[C@]7(C)[C@]6(CC(C)(C)[C@@H](O)[C@H]7O)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)C(O)C(O)C6(C)CCC54C)C2(C)CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-21,22,23-trihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-
  • (3β,4β,21β,22β)-21,22,23-Trihydroxyolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid
  • Kudzusaponin SA1