Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (5β,6α,17α,22R)-
CAS Registry Number®
78286-00-7
CAS Name
Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (5β,6α,17α,22R)-Molecular Formula
C28H39ClO7Molecular Mass
523.06Cite this Page
Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (5β,6α,17α,22R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=78286-00-7 (retrieved ) (CAS RN: 78286-00-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H39ClO7/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-19(29)27(34)9-6-7-20(30)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-19,21,32-35H,8-14H2,1-5H3/t17-,18+,19-,21+,23-,24-,25-,26+,27+,28-/m0/s1
InChIKey
InChIKey=DSFWZSDSZFDOMA-KMMUWFSYSA-N
SMILES
O[C@]12[C@]3([C@@]([C@]4(C)[C@](O)([C@@H](Cl)C3)CC=CC4=O)(CC[C@]1(C)[C@@]([C@@](C)(O)[C@]5(CC(C)=C(C)C(=O)O5)[H])(O)CC2)[H])[H]
Canonical SMILES
O=C1OC(CC(=C1C)C)C(O)(C)C2(O)CCC3(O)C4CC(Cl)C5(O)CC=CC(=O)C5(C)C4CCC32C
Other Names for this Substance
- Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (5β,6α,17α,22R)-
- 4-Deoxyphysalolactone
Deleted or Replaced CAS Registry Numbers
81395-59-7