Physagulin B

CAS Registry Number®

146713-97-5
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CAS Name

Physagulin B

Molecular Formula

C30H39ClO7

Molecular Mass

547.08

Cite this Page

Physagulin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146713-97-5 (retrieved 2024-09-20) (CAS RN: 146713-97-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H39ClO7/c1-15-12-22(38-26(35)16(15)2)17(3)20-14-25(37-18(4)32)30(36)21-13-24(34)29(31)10-7-8-23(33)28(29,6)19(21)9-11-27(20,30)5/h7-8,14,17,19,21-22,24-25,34,36H,9-13H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29-,30-/m0/s1

InChIKey

InChIKey=YTYRPIHQJLEEEG-DTRRUJLXSA-N

SMILES

O[C@]12[C@]3([C@@]([C@]4(C)[C@@](Cl)([C@H](O)C3)CC=CC4=O)(CC[C@]1(C)C([C@H](C)[C@]5(CC(C)=C(C)C(=O)O5)[H])=C[C@@H]2OC(C)=O)[H])[H]

Canonical SMILES

O=C1OC(CC(=C1C)C)C(C2=CC(OC(=O)C)C3(O)C4CC(O)C5(Cl)CC=CC(=O)C5(C)C4CCC23C)C

Other Names for this Substance

  • Ergosta-2,16,24-trien-26-oic acid, 15-(acetyloxy)-5-chloro-6,14,22-trihydroxy-1-oxo-, δ-lactone, (5α,6β,15α,22R)-
  • Physagulin B