Ergost-2-en-26-oic acid, 6,7:24,25-diepoxy-5,12,22-trihydroxy-1-oxo-, δ-lactone, (5α,6α,7α,12α,22R,24S,25S)-

CAS Registry Number®

41093-93-0
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CAS Name

Ergost-2-en-26-oic acid, 6,7:24,25-diepoxy-5,12,22-trihydroxy-1-oxo-, δ-lactone, (5α,6α,7α,12α,22R,24S,25S)-

Molecular Formula

C28H38O7

Molecular Mass

486.60

Cite this Page

Ergost-2-en-26-oic acid, 6,7:24,25-diepoxy-5,12,22-trihydroxy-1-oxo-, δ-lactone, (5α,6α,7α,12α,22R,24S,25S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41093-93-0 (retrieved 2024-05-17) (CAS RN: 41093-93-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    261-262 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21-,22-,24-,25+,26-,27+,28-/m0/s1

InChIKey

InChIKey=UZLXIIADBIXQHY-JNUSPZCGSA-N

SMILES

C[C@@]12[C@@]3([C@@]([C@]4([C@](O4)([C@@]1(O)CC=CC2=O)[H])[H])([C@]5([C@](C)([C@@H](O)C3)[C@@]([C@H](C)[C@]6(C[C@@]7(C)[C@@](C)(C(=O)O6)O7)[H])(CC5)[H])[H])[H])[H]

Canonical SMILES

O=C1OC(CC2(OC12C)C)C(C)C3CCC4C5C6OC6C7(O)CC=CC(=O)C7(C)C5CC(O)C34C

Other Names for this Substance

  • Ergost-2-en-26-oic acid, 6,7:24,25-diepoxy-5,12,22-trihydroxy-1-oxo-, δ-lactone, (5α,6α,7α,12α,22R,24S,25S)-
  • Daturalactone
  • Daturalactone 1
  • NSC 285115

Deleted or Replaced CAS Registry Numbers

72055-73-3

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