Congmuyenoside B

CAS Registry Number®

184427-82-5

CAS Name

Congmuyenoside B

Molecular Formula

C54H88O24

Molecular Mass

1121.26

Cite this Page

Congmuyenoside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=184427-82-5 (retrieved 2025-01-09) (CAS RN: 184427-82-5).  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)13-15-54(48(69)70)16-14-52(5)23(24(54)17-49)7-8-30-50(3)11-10-31(51(4,22-59)29(50)9-12-53(30,52)6)75-47-43(78-45-39(67)37(65)33(61)26(19-56)72-45)42(35(63)28(21-58)74-47)77-46-40(68)41(34(62)27(20-57)73-46)76-44-38(66)36(64)32(60)25(18-55)71-44/h7,24-47,55-68H,8-22H2,1-6H3,(H,69,70)/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38+,39+,40+,41-,42-,43+,44-,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1

InChIKey

InChIKey=MHWNGPOVHRXJTF-UUJQIYRCSA-N

SMILES

C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CCC(C)(C)C3)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@H]8[C@H](O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@@H](CO)O8)[C@H](O)[C@@H](CO)O6)[C@]5(CO)C)[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)(CO)C5CCC4(C)C3(C)CC1

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]-23-hydroxy-, (3β,4α)-
  • (3β,4α)-3-[(O-β-D-Glucopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid
  • Congmuyenoside B

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