Physapubescin

CAS Registry Number®

74747-52-7
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CAS Name

Physapubescin

Molecular Formula

C30H42O8

Molecular Mass

530.65

Cite this Page

Physapubescin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74747-52-7 (retrieved 2024-09-19) (CAS RN: 74747-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3/t14-,16+,17-,18+,19-,20+,22-,23+,24+,25+,26+,27-,28-,29+,30+/m0/s1

InChIKey

InChIKey=QYJHRILRWPBICK-NBPVZKKPSA-N

SMILES

C[C@]12[C@]3([C@](O3)(C[C@@]4([C@@]1(CC[C@@]5(C)[C@]4([C@@H](OC(C)=O)C[C@@]5([C@H](C)[C@]6(C[C@@]7(C)[C@@](C)([C@H](O)O6)O7)[H])[H])[H])[H])[H])[H])[C@@H](O)C=CC2=O

Canonical SMILES

O=C(OC1CC(C(C)C2OC(O)C3(OC3(C)C2)C)C4(C)CCC5C(CC6OC76C(O)C=CC(=O)C57C)C14)C

Other Names for this Substance

  • Ergost-2-en-1-one, 15-(acetyloxy)-5,6:22,26:24,25-triepoxy-4,26-dihydroxy-, (4β,5β,6β,15α,22R,24S,25S,26R)-
  • (4β,5β,6β,15α,22R,24S,25S,26R)-15-(Acetyloxy)-5,6:22,26:24,25-triepoxy-4,26-dihydroxyergost-2-en-1-one
  • Physapubescin
  • Physapubescin A
  • 15-epi-Physapubescin B