Olean-12-en-29-oic acid, 3-(acetyloxy)-22-hydroxy-, γ-lactone, (3β,20α,22α)-
CAS Registry Number®
84104-80-3
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CAS Name
Olean-12-en-29-oic acid, 3-(acetyloxy)-22-hydroxy-, γ-lactone, (3β,20α,22α)-Molecular Formula
C32H48O4Molecular Mass
496.72Cite this Page
Olean-12-en-29-oic acid, 3-(acetyloxy)-22-hydroxy-, γ-lactone, (3β,20α,22α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=84104-80-3 (retrieved ) (CAS RN: 84104-80-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H48O4/c1-19(33)35-24-12-13-30(6)22(27(24,2)3)11-14-32(8)23(30)10-9-20-21-17-28(4)18-25(36-26(28)34)29(21,5)15-16-31(20,32)7/h9,21-25H,10-18H2,1-8H3/t21-,22-,23+,24-,25-,28-,29+,30-,31+,32+/m0/s1
InChIKey
InChIKey=KCKCIDCRXAOGCM-KXWOPETLSA-N
SMILES
C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](OC(C)=O)CC3)[H])(CC=C4[C@@]2(C)CC[C@]5(C)[C@]4(C[C@@]6(C)C[C@@]5(OC6=O)[H])[H])[H]
Canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC6(C(=O)OC(C6)C5(C)CCC43C)C)C1(C)C)C
Other Names for this Substance
- Olean-12-en-29-oic acid, 3-(acetyloxy)-22-hydroxy-, γ-lactone, (3β,20α,22α)-
- 4,2-(Epoxymethano)picene, olean-12-en-29-oic acid deriv.
- Wilforlide A acetate