(3β,22E)-Ergosta-4,6,8(14),22-tetraen-3-ol

CAS Registry Number®

104729-39-7

CAS Name

(3β,22E)-Ergosta-4,6,8(14),22-tetraen-3-ol

Molecular Formula

C28H42O

Molecular Mass

394.63

Cite this Page

(3β,22E)-Ergosta-4,6,8(14),22-tetraen-3-ol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104729-39-7 (retrieved 2024-12-12) (CAS RN: 104729-39-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,22,24,26,29H,11-16H2,1-6H3/b8-7+/t19-,20+,22-,24+,26-,27-,28+/m0/s1

InChIKey

InChIKey=SHHHPKBCWIDXJY-BDBRCDPUSA-N

SMILES

C[C@@]12C(=C3[C@@]([C@]4(C)C(C=C3)=C[C@@H](O)CC4)(CC1)[H])CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H]

Canonical SMILES

OC1C=C2C=CC3=C4CCC(C(C=CC(C)C(C)C)C)C4(C)CCC3C2(C)CC1

Other Names for this Substance

  • Ergosta-4,6,8(14),22-tetraen-3-ol, (3β,22E)-
  • (3β,22E)-Ergosta-4,6,8(14),22-tetraen-3-ol

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background