Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,14β,15α,22R)-
CAS Registry Number®
100217-92-3
CAS Name
Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,14β,15α,22R)-Molecular Formula
C30H40O8Molecular Mass
528.63Cite this Page
Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,14β,15α,22R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=100217-92-3 (retrieved ) (CAS RN: 100217-92-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3/t16-,18-,19+,20+,21+,23-,24-,25+,27+,28-,29+,30+/m0/s1
InChIKey
InChIKey=OPYWYTLAPWWTKW-RHITVKEVSA-N
SMILES
C[C@]12[C@]3([C@](O3)(C[C@@]4([C@@]1(CC[C@@]5(C)[C@]4(O)[C@@H](OC(C)=O)C[C@@]5([C@H](C)[C@]6(CC(C)=C(C)C(=O)O6)[H])[H])[H])[H])[H])[C@@H](O)C=CC2=O
Canonical SMILES
O=C1OC(CC(=C1C)C)C(C)C2CC(OC(=O)C)C3(O)C4CC5OC65C(O)C=CC(=O)C6(C)C4CCC23C
Other Names for this Substance
- Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6-epoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,14β,15α,22R)-
- (+)-Physapubenolide
- Physapubenolide