Licoricesaponin A3

CAS Registry Number®

118325-22-7
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CAS Name

Licoricesaponin A3

Molecular Formula

C48H72O21

Molecular Mass

985.07

Cite this Page

Licoricesaponin A3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118325-22-7 (retrieved 2024-05-19) (CAS RN: 118325-22-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196-199 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C48H72O21/c1-43(2)23-8-11-48(7)36(21(50)16-19-20-17-45(4,13-12-44(20,3)14-15-47(19,48)6)42(63)69-39-31(57)26(52)25(51)22(18-49)64-39)46(23,5)10-9-24(43)65-41-35(30(56)29(55)34(67-41)38(61)62)68-40-32(58)27(53)28(54)33(66-40)37(59)60/h16,20,22-36,39-41,49,51-58H,8-15,17-18H2,1-7H3,(H,59,60)(H,61,62)/t20-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,44+,45-,46-,47+,48+/m0/s1

InChIKey

InChIKey=HJFOOTRGDAPZMV-SMVKYPPISA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O[C@H]4[C@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(C(=O)C=C6[C@@]2(C)CC[C@]7(C)[C@]6(C[C@](C(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)=O)(C)CC7)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C5C(=O)C=C6C7CC(C(=O)OC8OC(CO)C(O)C(O)C8O)(C)CCC7(C)CCC6(C)C5(C)CCC4C3(C)C)C(=O)O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,20β)-29-(β-D-glucopyranosyloxy)-11,29-dioxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-
  • (3β,20β)-29-(β-D-Glucopyranosyloxy)-11,29-dioxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid
  • Licoricesaponin A3

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