Withaperuvin D
CAS Registry Number®
87749-17-5
CAS Name
Withaperuvin DMolecular Formula
C28H40O9Molecular Mass
520.61Cite this Page
Withaperuvin D. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=87749-17-5 (retrieved ) (CAS RN: 87749-17-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H40O9/c1-13-10-19(37-22(31)14(13)2)25(5,32)27(34)9-8-26(33)16-11-20-28(35)21(30)17(36-20)12-18(29)24(28,4)15(16)6-7-23(26,27)3/h15-17,19-21,30,32-35H,6-12H2,1-5H3/t15-,16+,17+,19+,20-,21?,23-,24-,25-,26+,27-,28-/m0/s1
InChIKey
InChIKey=DMAZCUJZFYKTRY-QIQAVMIASA-N
SMILES
O[C@]12[C@]3([C@@]([C@]4(C)[C@]5(O)[C@](C3)(O[C@@](C5O)(CC4=O)[H])[H])(CC[C@]1(C)[C@@]([C@@](C)(O)[C@]6(CC(C)=C(C)C(=O)O6)[H])(O)CC2)[H])[H]
Canonical SMILES
O=C1OC(CC(=C1C)C)C(O)(C)C2(O)CCC3(O)C4CC5OC6CC(=O)C(C)(C4CCC32C)C5(O)C6O
Other Names for this Substance
- Ergost-24-en-26-oic acid, 3,6-epoxy-4,5,14,17,20,22-hexahydroxy-1-oxo-, δ-lactone, (3α,4β,5β,6α,17α,22R)-
- (+)-Withaperuvin D
- Withaperuvin D