Andrastin A

CAS Registry Number®

174232-42-9
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CAS Name

Andrastin A

Molecular Formula

C28H38O7

Molecular Mass

486.60

Cite this Page

Andrastin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=174232-42-9 (retrieved 2024-04-25) (CAS RN: 174232-42-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O7/c1-15-13-19-25(6,28(23(33)34-8)22(32)16(2)21(31)26(15,28)7)11-9-18-24(4,5)20(35-17(3)30)10-12-27(18,19)14-29/h13-14,16,18-20H,9-12H2,1-8H3/t16?,18-,19-,20+,25+,26+,27+,28-/m1/s1

InChIKey

InChIKey=GRBXNADBNJGZRK-GJEDHNSHSA-N

SMILES

C(OC)(=O)[C@]12[C@]3(C)[C@]([C@@]4(C=O)[C@](CC3)(C(C)(C)[C@@H](OC(C)=O)CC4)[H])(C=C(C)[C@@]1(C)C(=O)C(C)C2=O)[H]

Canonical SMILES

O=CC12CCC(OC(=O)C)C(C)(C)C2CCC3(C)C1C=C(C)C4(C(=O)C(C(=O)C43C(=O)OC)C)C

Other Names for this Substance

  • Androst-11-ene-14-carboxylic acid, 3-(acetyloxy)-4,4,8,12,16-pentamethyl-15,17,19-trioxo-, methyl ester, (3β,5β,8α,9β,10α,13α)-
  • Andrastin A
  • NSC 697452

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