β-D-Glucopyranosiduronic acid, (3β,4α)-17-carboxy-23-oxo-28-norolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-

CAS Registry Number®

110064-53-4

CAS Name

β-D-Glucopyranosiduronic acid, (3β,4α)-17-carboxy-23-oxo-28-norolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-

Molecular Formula

C42H64O14

Molecular Mass

792.95

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,4α)-17-carboxy-23-oxo-28-norolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110064-53-4 (retrieved 2024-11-08) (CAS RN: 110064-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H64O14/c1-20-26(44)27(45)28(46)34(53-20)55-31-29(47)32(33(49)50)56-35(30(31)48)54-25-11-12-38(4)23(39(25,5)19-43)10-13-41(7)24(38)9-8-21-22-18-37(2,3)14-16-42(22,36(51)52)17-15-40(21,41)6/h8,19-20,22-32,34-35,44-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t20-,22+,23-,24-,25+,26-,27+,28-,29+,30-,31+,32+,34+,35-,38+,39+,40-,41-,42+/m1/s1

InChIKey

InChIKey=OLFGQBKWRYLUAQ-BKQKWPKCSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@@](C=O)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C(O)=O)O6)CC5)[H])[H]

Canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)CCC4(C)C1CCC5(C)C4CC=C6C7CC(C)(C)CCC7(C(=O)O)CCC65C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4α)-17-carboxy-23-oxo-28-norolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-
  • 28-Noroleanane, β-D-glucopyranosiduronic acid deriv.

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles