Ergost-5-en-26-oic acid, 1-(acetyloxy)-3,20,22,28-tetrahydroxy-, γ-lactone, (1α,3β,22R,25R)-

CAS Registry Number®

76994-38-2
No image available.

CAS Name

Ergost-5-en-26-oic acid, 1-(acetyloxy)-3,20,22,28-tetrahydroxy-, γ-lactone, (1α,3β,22R,25R)-

Molecular Formula

C30H46O7

Molecular Mass

518.68

Cite this Page

Ergost-5-en-26-oic acid, 1-(acetyloxy)-3,20,22,28-tetrahydroxy-, γ-lactone, (1α,3β,22R,25R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76994-38-2 (retrieved 2024-09-19) (CAS RN: 76994-38-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H46O7/c1-16-18(15-36-27(16)34)12-25(33)30(5,35)24-9-8-22-21-7-6-19-13-20(32)14-26(37-17(2)31)29(19,4)23(21)10-11-28(22,24)3/h6,16,18,20-26,32-33,35H,7-15H2,1-5H3/t16-,18-,20-,21+,22+,23+,24+,25-,26+,28+,29+,30-/m1/s1

InChIKey

InChIKey=ODRFODNLKCBNIK-HJGBNWBKSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@]([C@@H](C[C@H]5[C@@H](C)C(=O)OC5)O)(C)O)(CC4)[H])[H])(CC=C1C[C@@H](O)C[C@@H]2OC(C)=O)[H])[H]

Canonical SMILES

O=C(OC1CC(O)CC2=CCC3C(CCC4(C)C3CCC4C(O)(C)C(O)CC5COC(=O)C5C)C21C)C

Other Names for this Substance

  • Ergost-5-en-26-oic acid, 1-(acetyloxy)-3,20,22,28-tetrahydroxy-, γ-lactone, (1α,3β,22R,25R)-
  • Perulactone
  • 25-Deoxyperulactone D