Ergosta-5,24-dien-26-oic acid, 1,3,22,27-tetrahydroxy-, δ-lactone, (1α,3β,22R)-

CAS Registry Number®

98569-64-3

CAS Name

Ergosta-5,24-dien-26-oic acid, 1,3,22,27-tetrahydroxy-, δ-lactone, (1α,3β,22R)-

Molecular Formula

C28H42O5

Molecular Mass

458.63

Cite this Page

Ergosta-5,24-dien-26-oic acid, 1,3,22,27-tetrahydroxy-, δ-lactone, (1α,3β,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98569-64-3 (retrieved 2024-10-05) (CAS RN: 98569-64-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133-135 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3/t16-,18+,19-,21+,22-,23-,24+,25-,27+,28-/m0/s1

InChIKey

InChIKey=FYYIHVSEGVWNCF-RMDUJBCISA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@H](C)[C@]5(CC(C)=C(CO)C(=O)O5)[H])(CC4)[H])[H])(CC=C1C[C@@H](O)C[C@@H]2O)[H])[H]

Canonical SMILES

O=C1OC(CC(=C1CO)C)C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 1,3,22,27-tetrahydroxy-, δ-lactone, (1α,3β,22R)-
  • Pubesenolide
  • Sominone

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