(3β,16α)-3-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid
CAS Registry Number®
CAS Name
(3β,16α)-3-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acidMolecular Formula
C41H66O13Molecular Mass
766.95Cite this Page
(3β,16α)-3-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=78285-89-9 (retrieved ) (CAS RN: 78285-89-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C41H66O13/c1-36(2)14-15-41(35(49)50)21(16-36)20-8-9-25-38(5)12-11-27(37(3,4)24(38)10-13-39(25,6)40(20,7)17-26(41)43)54-34-32(48)30(46)29(45)23(53-34)19-52-33-31(47)28(44)22(42)18-51-33/h8,21-34,42-48H,9-19H2,1-7H3,(H,49,50)/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1
InChIKey
InChIKey=YOFVOAYCIARLQE-JYTHRGSDSA-N
SMILES
C(O)(=O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O[C@@H]6O[C@H](CO[C@H]7[C@H](O)[C@@H](O)[C@@H](O)CO7)[C@@H](O)[C@H](O)[C@H]6O)CC5)[H])[H])(CC(C)(C)CC2)[H]
Canonical SMILES
O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1O
Other Names for this Substance
- Olean-12-en-28-oic acid, 3-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-16-hydroxy-, (3β,16α)-
- (3β,16α)-3-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid
- Pitheduloside A