Congmunoside XV

CAS Registry Number®

374807-02-0

CAS Name

Congmunoside XV

Molecular Formula

C54H88O24

Molecular Mass

1121.26

Cite this Page

Congmunoside XV.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=374807-02-0 (retrieved 2025-01-09) (CAS RN: 374807-02-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H88O24/c1-49(2)14-15-54(48(69)70)23(16-49)22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)17-30(54)59)75-47-43(78-45-39(67)37(65)33(61)25(19-56)72-45)42(35(63)27(21-58)74-47)77-46-40(68)41(34(62)26(20-57)73-46)76-44-38(66)36(64)32(60)24(18-55)71-44/h8,23-47,55-68H,9-21H2,1-7H3,(H,69,70)/t23-,24+,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35+,36-,37-,38+,39+,40+,41-,42-,43+,44-,45-,46-,47-,51-,52+,53+,54+/m0/s1

InChIKey

InChIKey=OTHFLJIHGAFUCO-DWKPVXFCSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](CO)O7)[C@H](O)[C@@H](CO)O5)CC4)[H])(CC=C1[C@]9([C@@](C(O)=O)([C@H](O)C2)CCC(C)(C)C9)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6OC9OC(CO)C(O)C(O)C9O)C(C)(C)C5CCC4(C)C3(C)CC1O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl)oxy]-16-hydroxy-, (3β,16α)-
  • (3β,16α)-3-[(O-β-D-Glucopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid
  • Congmunoside XV

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