(3β)-17-Carboxy-28-norolean-12-en-3-yl 3-O-[(S)-carboxy(carboxymethoxy)methyl]-β-D-glucopyranosiduronic acid

CAS Registry Number®

182322-58-3

CAS Name

(3β)-17-Carboxy-28-norolean-12-en-3-yl 3-O-[(S)-carboxy(carboxymethoxy)methyl]-β-D-glucopyranosiduronic acid

Molecular Formula

C40H60O14

Molecular Mass

764.90

Cite this Page

(3β)-17-Carboxy-28-norolean-12-en-3-yl 3-O-[(S)-carboxy(carboxymethoxy)methyl]-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=182322-58-3 (retrieved 2024-11-25) (CAS RN: 182322-58-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H60O14/c1-35(2)14-16-40(34(49)50)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)52-32-27(44)28(26(43)29(54-32)30(45)46)53-33(31(47)48)51-19-25(41)42/h8,21-24,26-29,32-33,43-44H,9-19H2,1-7H3,(H,41,42)(H,45,46)(H,47,48)(H,49,50)/t21-,22-,23+,24-,26-,27+,28-,29-,32+,33-,37-,38+,39+,40-/m0/s1

InChIKey

InChIKey=WEUHEQAOZHTARY-JWOAMYESSA-N

SMILES

C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CCC(C)(C)C3)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@H]6[C@H](O)[C@@H](O[C@H](OCC(O)=O)C(O)=O)[C@H](O)[C@@H](C(O)=O)O6)C5(C)C)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl 3-O-[(S)-carboxy(carboxymethoxy)methyl]-
  • (3β)-17-Carboxy-28-norolean-12-en-3-yl 3-O-[(S)-carboxy(carboxymethoxy)methyl]-β-D-glucopyranosiduronic acid
  • Spinacoside D

CAS INSIGHTSTM
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