Oleanan-29-al, 21-(benzoyloxy)-3,16-dihydroxy-12-oxo-, (3β,16β,20β,21β)-
CAS Registry Number®
90578-32-8
CAS Name
Oleanan-29-al, 21-(benzoyloxy)-3,16-dihydroxy-12-oxo-, (3β,16β,20β,21β)-Molecular Formula
C37H52O6Molecular Mass
592.81Cite this Page
Oleanan-29-al, 21-(benzoyloxy)-3,16-dihydroxy-12-oxo-, (3β,16β,20β,21β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=90578-32-8 (retrieved ) (CAS RN: 90578-32-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H52O6/c1-32(2)25-13-16-36(6)26(34(25,4)15-14-27(32)40)17-24(39)30-23-18-33(3,21-38)29(43-31(42)22-11-9-8-10-12-22)20-35(23,5)28(41)19-37(30,36)7/h8-12,21,23,25-30,40-41H,13-20H2,1-7H3/t23-,25-,26+,27-,28-,29-,30-,33-,34-,35-,36+,37+/m0/s1
InChIKey
InChIKey=GQOZPIAGDDOAGV-LOKUDQBYSA-N
SMILES
C[C@]12[C@@]([C@]3([C@@](C)([C@@H](O)C1)C[C@H](OC(=O)C4=CC=CC=C4)[C@@](C=O)(C)C3)[H])(C(=O)C[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](O)C6(C)C)[H])[H])[H]
Canonical SMILES
O=CC1(C)CC2C3C(=O)CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CC1OC(=O)C=6C=CC=CC6
Other Names for this Substance
- Oleanan-29-al, 21-(benzoyloxy)-3,16-dihydroxy-12-oxo-, (3β,16β,20β,21β)-
- Avenestergenin B 2