(3β,4β,20α)-20-Carboxy-23-hydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid

CAS Registry Number®

82801-38-5

CAS Name

(3β,4β,20α)-20-Carboxy-23-hydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid

Molecular Formula

C42H66O15

Molecular Mass

810.97

Cite this Page

(3β,4β,20α)-20-Carboxy-23-hydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82801-38-5 (retrieved 2025-06-04) (CAS RN: 82801-38-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H66O15/c1-37-13-14-38(2,36(52)53)17-21(37)20-7-8-24-39(3)11-10-25(40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,37+,38+,39-,40+,41+,42+/m0/s1

InChIKey

InChIKey=FXYSHYMHTAACSV-FTHMGGAWSA-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(C[C@@](C(O)=O)(C)CC7)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C(=O)O)(C)CCC6(C)CCC5(C)C4(C)CCC3C2(C)CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,20α)-20-carboxy-23-hydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,4β,20α)-20-Carboxy-23-hydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid
  • Azukisaponin III

CAS INSIGHTSTM
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