Ursa-12,19(29)-dien-28-oic acid, 3-(α-L-arabinopyranosyloxy)-23-hydroxy-, β-D-glucopyranosyl ester, (3β,4α)-
CAS Registry Number®
CAS Name
Ursa-12,19(29)-dien-28-oic acid, 3-(α-L-arabinopyranosyloxy)-23-hydroxy-, β-D-glucopyranosyl ester, (3β,4α)-Molecular Formula
C41H64O13Molecular Mass
764.94Cite this Page
Ursa-12,19(29)-dien-28-oic acid, 3-(α-L-arabinopyranosyloxy)-23-hydroxy-, β-D-glucopyranosyl ester, (3β,4α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=356785-73-4 (retrieved ) (CAS RN: 356785-73-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C41H64O13/c1-20-9-14-41(36(50)54-35-33(49)31(47)30(46)24(17-42)52-35)16-15-39(5)22(28(41)21(20)2)7-8-26-37(3)12-11-27(53-34-32(48)29(45)23(44)18-51-34)38(4,19-43)25(37)10-13-40(26,39)6/h7,20,23-35,42-49H,2,8-19H2,1,3-6H3/t20-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,37+,38+,39-,40-,41+/m1/s1
InChIKey
InChIKey=LJCUOMZSVKPSBW-PAUAZMGASA-N
SMILES
C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)([C@@](CO)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)CO7)CC6)[H])[H])(C(=C)[C@H](C)CC3)[H]
Canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C(=C)C3C4=CCC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2)C
Other Names for this Substance
- Ursa-12,19(29)-dien-28-oic acid, 3-(α-L-arabinopyranosyloxy)-23-hydroxy-, β-D-glucopyranosyl ester, (3β,4α)-