(22E)-Stigmasta-4,22,25-trien-3-one

CAS Registry Number®

848669-09-0
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CAS Name

(22E)-Stigmasta-4,22,25-trien-3-one

Molecular Formula

C29H44O

Molecular Mass

408.66

Cite this Page

(22E)-Stigmasta-4,22,25-trien-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=848669-09-0 (retrieved 2024-04-29) (CAS RN: 848669-09-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18,20-21,24-27H,2,7,10-17H2,1,3-6H3/b9-8+/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1

InChIKey

InChIKey=BLMXNQVGERRIAW-LPJPOILFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](/C=C/[C@H](C(C)=C)CC)C)[H])[H]

Canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C=CC(C(=C)C)CC)C)C2(C)CC1

Other Names for this Substance

  • Stigmasta-4,22,25-trien-3-one, (22E)-
  • (22E)-Stigmasta-4,22,25-trien-3-one

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