CAS Registry Number®
84104-71-2
CAS Name
Wilforlide A
Molecular Formula
C30H46O3
Molecular Mass
454.68
Compound Properties
-
Melting Point (1)
318-320 °C
Source(s)
- (1) Peng, Xiao-Yun; Zhongguo Tianran Yaowu, (2004), 2(4), 208-210, CAplus
Other Names and Identifiers
InChI
InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,26-,27+,28-,29+,30+/m0/s1
InChIKey
InChIKey=HHQJBWYXBWOFJY-YLXTXNMFSA-N
SMILES
C[C@]12C([C@]3([C@@](C)(CC1)[C@@]4(C[C@](C)(C3)C(=O)O4)[H])[H])=CC[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](O)C6(C)C)[H])[H]
Canonical SMILES
O=C1OC2CC1(C)CC3C4=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CCC23C
Other Names for this Substance
- Olean-12-en-29-oic acid, 3,22-dihydroxy-, γ-lactone, (3β,20α,22α)-
- 4,2-(Epoxymethano)picene, olean-12-en-29-oic acid deriv.
- Wilforlide A
- Abruslactone A
- Regelide
- (-)-Abruslactone A
