Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-, (3β)-

CAS Registry Number®

182132-59-8
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CAS Name

Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-, (3β)-

Molecular Formula

C39H60O9

Molecular Mass

672.89

Cite this Page

Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=182132-59-8 (retrieved 2024-08-23) (CAS RN: 182132-59-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H60O9/c1-20-12-17-38(32(41)42)18-19-39(33(43)44)23(27(38)21(20)2)10-11-25-36(8)15-14-26(34(4,5)24(36)13-16-37(25,39)9)46-31-28(40)30-29(22(3)45-31)47-35(6,7)48-30/h10,20-22,24-31,40H,11-19H2,1-9H3,(H,41,42)(H,43,44)/t20-,21+,22-,24+,25-,26+,27+,28-,29+,30-,31+,36+,37-,38+,39-/m1/s1

InChIKey

InChIKey=PJTJSVDBSNUINC-MICCIQSSSA-N

SMILES

C(O)(=O)[C@]12C([C@]3([C@@](C(O)=O)(CC1)CC[C@@H](C)[C@@H]3C)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@H]6[C@H](O)[C@@]7([C@]([C@@H](C)O6)(OC(C)(C)O7)[H])[H])C5(C)C)[H])[H]

Canonical SMILES

O=C(O)C12C(=CCC3C4(C)CCC(OC5OC(C)C6OC(OC6C5O)(C)C)C(C)(C)C4CCC31C)C7C(C)C(C)CCC7(C(=O)O)CC2

Other Names for this Substance

  • Urs-12-ene-27,28-dioic acid, 3-[[6-deoxy-3,4-O-(1-methylethylidene)-β-D-galactopyranosyl]oxy]-, (3β)-