(11α,22E)-9,11-Dihydroxyergosta-4,6,8(14),22-tetraen-3-one

CAS Registry Number®

1300116-49-7

CAS Name

(11α,22E)-9,11-Dihydroxyergosta-4,6,8(14),22-tetraen-3-one

Molecular Formula

C28H40O3

Molecular Mass

424.62

Cite this Page

(11α,22E)-9,11-Dihydroxyergosta-4,6,8(14),22-tetraen-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1300116-49-7 (retrieved 2024-11-24) (CAS RN: 1300116-49-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)22-11-12-23-24-10-9-20-15-21(29)13-14-27(20,6)28(24,31)25(30)16-26(22,23)5/h7-10,15,17-19,22,25,30-31H,11-14,16H2,1-6H3/b8-7+/t18-,19+,22+,25+,26+,27-,28-/m0/s1

InChIKey

InChIKey=GBAGTCNHJJTJIL-YVVZYAQMSA-N

SMILES

O[C@@]12[C@]3(C)C(C=CC1=C4[C@](C)(C[C@H]2O)[C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC4)[H])=CC(=O)CC3

Canonical SMILES

O=C1C=C2C=CC3=C4CCC(C(C=CC(C)C(C)C)C)C4(C)CC(O)C3(O)C2(C)CC1

Other Names for this Substance

  • Ergosta-4,6,8(14),22-tetraen-3-one, 9,11-dihydroxy-, (11α,22E)-
  • (11α,22E)-9,11-Dihydroxyergosta-4,6,8(14),22-tetraen-3-one

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