Ergosta-1,4-dien-26-oic acid, 22,23-dihydroxy-3-oxo-, γ-lactone, (22S,23R,24S,25R)-

CAS Registry Number®

1289420-25-2

CAS Name

Ergosta-1,4-dien-26-oic acid, 22,23-dihydroxy-3-oxo-, γ-lactone, (22S,23R,24S,25R)-

Molecular Formula

C28H40O4

Molecular Mass

440.61

Cite this Page

Ergosta-1,4-dien-26-oic acid, 22,23-dihydroxy-3-oxo-, γ-lactone, (22S,23R,24S,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1289420-25-2 (retrieved 2024-11-12) (CAS RN: 1289420-25-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40O4/c1-15-16(2)26(31)32-25(15)24(30)17(3)21-8-9-22-20-7-6-18-14-19(29)10-12-27(18,4)23(20)11-13-28(21,22)5/h10,12,14-17,20-25,30H,6-9,11,13H2,1-5H3/t15-,16+,17-,20-,21+,22-,23-,24-,25+,27-,28+/m0/s1

InChIKey

InChIKey=UISXVQNCBCKQHL-PPGQKZPJSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)(CC1)[H])[H])(CC[C@@]2([C@@H]([C@H](O)[C@]5([C@@H](C)[C@@H](C)C(=O)O5)[H])C)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2CCC4(C)C(CCC34)C(C)C(O)C5OC(=O)C(C)C5C)C

Other Names for this Substance

  • Ergosta-1,4-dien-26-oic acid, 22,23-dihydroxy-3-oxo-, γ-lactone, (22S,23R,24S,25R)-
  • Paraminabeolide D

CAS INSIGHTSTM
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