2,3-Dihydrowithanolide E
CAS Registry Number®
38253-76-8
CAS Name
2,3-Dihydrowithanolide EMolecular Formula
C28H40O7Molecular Mass
488.61Cite this Page
2,3-Dihydrowithanolide E. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=38253-76-8 (retrieved ) (CAS RN: 38253-76-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H40O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h17-18,20-21,31-33H,6-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1
InChIKey
InChIKey=OILCCDVXJXTPHF-LFCBYZEKSA-N
SMILES
C[C@]12[C@]3([C@](O3)(C[C@@]4([C@@]1(CC[C@@]5(C)[C@@]4(O)CC[C@]5([C@@](C)(O)[C@]6(CC(C)=C(C)C(=O)O6)[H])O)[H])[H])[H])CCCC2=O
Canonical SMILES
O=C1OC(CC(=C1C)C)C(O)(C)C2(O)CCC3(O)C4CC5OC65CCCC(=O)C6(C)C4CCC32C
Other Names for this Substance
- Ergost-24-en-26-oic acid, 5,6-epoxy-14,17,20,22-tetrahydroxy-1-oxo-, δ-lactone, (5β,6β,17α,22R)-
- 2,3-Dihydrowithanolide E