Urs-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-, 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (3β)-
CAS Registry Number®
CAS Name
Urs-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-, 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (3β)-Molecular Formula
C53H86O22Molecular Mass
1075.24Cite this Page
Urs-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-, 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (3β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=164178-28-3 (retrieved ) (CAS RN: 164178-28-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C53H86O22/c1-22-10-15-53(48(67)75-47-41(65)38(62)35(59)28(72-47)21-69-44-39(63)36(60)33(57)26(18-54)70-44)17-16-51(6)24(32(53)23(22)2)8-9-30-50(5)13-12-31(49(3,4)29(50)11-14-52(30,51)7)73-45-42(66)43(25(56)20-68-45)74-46-40(64)37(61)34(58)27(19-55)71-46/h8,22-23,25-47,54-66H,9-21H2,1-7H3/t22-,23+,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+/m1/s1
InChIKey
InChIKey=OOTPRIVIWDPPAS-MFKACLLBSA-N
SMILES
C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=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]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)CO8)CC7)[H])[H])([C@@H](C)[C@H](C)CC4)[H]
Canonical SMILES
O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C34CCC(C)C(C)C4C5=CCC6C7(C)CCC(OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(C)(C)C7CCC6(C)C5(C)CC3
Other Names for this Substance
- Urs-12-en-28-oic acid, 3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-, 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (3β)-
- Matesaponin 3
- Araliasaponin X
- Ursolic acid 3-O-β-D-glucopyranosyl-(1→3)-α-L-arabinopyranosyl 28-O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranoside
