Ergosta-1,4-dien-26-oic acid, 18-(acetyloxy)-22-hydroxy-3-oxo-, δ-lactone, (22R,25S)-

CAS Registry Number®

1289420-22-9
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CAS Name

Ergosta-1,4-dien-26-oic acid, 18-(acetyloxy)-22-hydroxy-3-oxo-, δ-lactone, (22R,25S)-

Molecular Formula

C30H42O5

Molecular Mass

482.65

Cite this Page

Ergosta-1,4-dien-26-oic acid, 18-(acetyloxy)-22-hydroxy-3-oxo-, δ-lactone, (22R,25S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1289420-22-9 (retrieved 2024-09-19) (CAS RN: 1289420-22-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H42O5/c1-17-14-27(35-28(33)18(17)2)19(3)24-8-9-26-23-7-6-21-15-22(32)10-12-29(21,5)25(23)11-13-30(24,26)16-34-20(4)31/h10,12,15,17-19,23-27H,6-9,11,13-14,16H2,1-5H3/t17-,18-,19-,23+,24+,25-,26-,27+,29-,30-/m0/s1

InChIKey

InChIKey=CJVKACGPAQCXAA-RXQWXACOSA-N

SMILES

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

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2CCC4(COC(=O)C)C(CCC34)C(C)C5OC(=O)C(C)C(C)C5)C

Other Names for this Substance

  • Ergosta-1,4-dien-26-oic acid, 18-(acetyloxy)-22-hydroxy-3-oxo-, δ-lactone, (22R,25S)-
  • Paraminabeolide B