Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (1β,2α,3β)-

CAS Registry Number®

211944-25-1

CAS Name

Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (1β,2α,3β)-

Molecular Formula

C42H68O16

Molecular Mass

828.98

Cite this Page

Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (1β,2α,3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=211944-25-1 (retrieved 2024-11-05) (CAS RN: 211944-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H68O16/c1-18-10-13-42(36(53)58-35-30(27(48)25(46)21(17-44)56-35)57-34-28(49)26(47)24(45)20(16-43)55-34)15-14-38(4)19(31(42)41(18,7)54)8-9-23-39(38,5)12-11-22-37(2,3)32(51)29(50)33(52)40(22,23)6/h8,18,20-35,43-52,54H,9-17H2,1-7H3/t18-,20-,21-,22+,23+,24-,25-,26+,27+,28-,29+,30-,31-,32+,33-,34+,35+,38-,39-,40+,41-,42+/m1/s1

InChIKey

InChIKey=CYBPVTXJHMEVKW-MIQCGZFMSA-N

SMILES

C(O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(=O)[C@]34[C@](C=5[C@@](C)(CC3)[C@@]6(C)[C@](CC5)([C@]7(C)[C@@](CC6)(C(C)(C)[C@@H](O)[C@H](O)[C@H]7O)[H])[H])([C@](C)(O)[C@H](C)CC4)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O)C34CCC(C)C(O)(C)C4C5=CCC6C7(C)C(O)C(O)C(O)C(C)(C)C7CCC6(C)C5(C)CC3

Other Names for this Substance

  • Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (1β,2α,3β)-

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles