Ergosta-1,4-dien-26-oic acid, 18-(acetyloxy)-22,23-dihydroxy-3-oxo-, γ-lactone, (22S,23R,25R)-
CAS Registry Number®
1289420-24-1
CAS Name
Ergosta-1,4-dien-26-oic acid, 18-(acetyloxy)-22,23-dihydroxy-3-oxo-, γ-lactone, (22S,23R,25R)-Molecular Formula
C30H42O6Molecular Mass
498.65Cite this Page
Ergosta-1,4-dien-26-oic acid, 18-(acetyloxy)-22,23-dihydroxy-3-oxo-, γ-lactone, (22S,23R,25R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1289420-24-1 (retrieved ) (CAS RN: 1289420-24-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C30H42O6/c1-16-17(2)28(34)36-27(16)26(33)18(3)23-8-9-25-22-7-6-20-14-21(32)10-12-29(20,5)24(22)11-13-30(23,25)15-35-19(4)31/h10,12,14,16-18,22-27,33H,6-9,11,13,15H2,1-5H3/t16-,17-,18+,22-,23-,24+,25+,26+,27-,29+,30+/m1/s1
InChIKey
InChIKey=CFLDASSGYNALJR-DYJDMTRPSA-N
SMILES
C(OC(C)=O)[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2([C@@H]([C@H](O)[C@]5([C@H](C)[C@@H](C)C(=O)O5)[H])C)[H])[H]
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C2CCC4(COC(=O)C)C(CCC34)C(C)C(O)C5OC(=O)C(C)C5C)C
Other Names for this Substance
- Ergosta-1,4-dien-26-oic acid, 18-(acetyloxy)-22,23-dihydroxy-3-oxo-, γ-lactone, (22S,23R,25R)-
- Paraminabeolide C