Ergosta-1,4-diene-18,26-dioic acid, 22,23-dihydroxy-3-oxo-, 18,22:26,23-dilactone, (22S,23R,25R)-

CAS Registry Number®

1289420-31-0

CAS Name

Ergosta-1,4-diene-18,26-dioic acid, 22,23-dihydroxy-3-oxo-, 18,22:26,23-dilactone, (22S,23R,25R)-

Molecular Formula

C28H36O5

Molecular Mass

452.58

Cite this Page

Ergosta-1,4-diene-18,26-dioic acid, 22,23-dihydroxy-3-oxo-, 18,22:26,23-dilactone, (22S,23R,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1289420-31-0 (retrieved 2024-11-25) (CAS RN: 1289420-31-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H36O5/c1-14-15(2)25(30)32-23(14)24-16(3)20-7-8-22-19-6-5-17-13-18(29)9-11-27(17,4)21(19)10-12-28(20,22)26(31)33-24/h9,11,13-16,19-24H,5-8,10,12H2,1-4H3/t14-,15-,16+,19-,20-,21+,22+,23-,24+,27+,28+/m1/s1

InChIKey

InChIKey=CSYZCEMSEOUURJ-NQRURKCISA-N

SMILES

O=C1[C@@]23[C@]([C@]4([C@](CC2)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])(CC[C@@]3([C@H](C)[C@](O1)([C@]6([C@H](C)[C@@H](C)C(=O)O6)[H])[H])[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2CCC45C(=O)OC(C6OC(=O)C(C)C6C)C(C)C5CCC34)C

Other Names for this Substance

  • Ergosta-1,4-diene-18,26-dioic acid, 22,23-dihydroxy-3-oxo-, 18,22:26,23-dilactone, (22S,23R,25R)-
  • Paraminabeolide F

CAS INSIGHTSTM
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