Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6:16,17-diepoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,14β,15α,16β,17α,22R)-

CAS Registry Number®

136997-67-6

CAS Name

Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6:16,17-diepoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,14β,15α,16β,17α,22R)-

Molecular Formula

C30H38O9

Molecular Mass

542.62

Cite this Page

Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6:16,17-diepoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,14β,15α,16β,17α,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=136997-67-6 (retrieved 2024-11-13) (CAS RN: 136997-67-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H38O9/c1-13-11-19(37-25(34)14(13)2)15(3)29-24(39-29)23(36-16(4)31)28(35)18-12-22-30(38-22)21(33)8-7-20(32)27(30,6)17(18)9-10-26(28,29)5/h7-8,15,17-19,21-24,33,35H,9-12H2,1-6H3/t15-,17+,18-,19-,21+,22-,23+,24+,26+,27+,28-,29+,30-/m1/s1

InChIKey

InChIKey=VVQRJFUYBNCTQX-STRQQOONSA-N

SMILES

[C@H](C)([C@@]12[C@@](O1)([C@H](OC(C)=O)[C@@]3(O)[C@]2(C)CC[C@]4([C@]3(C[C@@]5([C@]6([C@]4(C)C(=O)C=C[C@@H]6O)O5)[H])[H])[H])[H])[C@]7(CC(C)=C(C)C(=O)O7)[H]

Canonical SMILES

O=C1OC(CC(=C1C)C)C(C)C23OC3C(OC(=O)C)C4(O)C5CC6OC76C(O)C=CC(=O)C7(C)C5CCC42C

Other Names for this Substance

  • Ergosta-2,24-dien-26-oic acid, 15-(acetyloxy)-5,6:16,17-diepoxy-4,14,22-trihydroxy-1-oxo-, δ-lactone, (4β,5β,6β,14β,15α,16β,17α,22R)-
  • 5,6:16,17-Diepoxy-5H-cyclopenta[a]phenanthrene, ergosta-2,24-dien-26-oic acid deriv.
  • Physagulin C
  • (+)-Physagulin C

CAS INSIGHTSTM
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