Medicoside C

CAS Registry Number®

102349-43-9

CAS Name

Medicoside C

Molecular Formula

C46H74O17

Molecular Mass

899.07

Cite this Page

Medicoside C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=102349-43-9 (retrieved 2024-12-25) (CAS RN: 102349-43-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H74O17/c1-41(2)13-15-46(40(56)57)16-14-44(5)22(23(46)17-41)7-8-28-42(3)11-10-29(43(4,21-48)27(42)9-12-45(28,44)6)61-38-35(31(52)25(50)20-59-38)63-39-36(33(54)32(53)26(18-47)60-39)62-37-34(55)30(51)24(49)19-58-37/h7,23-39,47-55H,8-21H2,1-6H3,(H,56,57)/t23-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34+,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1

InChIKey

InChIKey=NMFXQSHZSKXLRM-JJYKKGDWSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)([C@@](CO)(C)[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)CO8)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@@H](O)CO6)CC5)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OC(CO)C(O)C(O)C7OC8OCC(O)C(O)C8O)C(C)(CO)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxy-, (3β,4α)-
  • (3β,4α)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid
  • Medicoside C

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.