Methyl antcinate A

CAS Registry Number®

169477-80-9
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CAS Name

Methyl antcinate A

Molecular Formula

C30H44O4

Molecular Mass

468.67

Cite this Page

Methyl antcinate A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=169477-80-9 (retrieved 2024-09-20) (CAS RN: 169477-80-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H44O4/c1-17(19(3)28(33)34-7)8-9-18(2)22-12-13-24-21-10-11-23-20(4)25(31)14-15-29(23,5)27(21)26(32)16-30(22,24)6/h18-20,22-24H,1,8-16H2,2-7H3/t18-,19?,20+,22-,23+,24+,29+,30-/m1/s1

InChIKey

InChIKey=JVQOVXPSHOWVQH-ZSGULCPNSA-N

SMILES

C[C@@]12C3=C([C@]4([C@](C)(CC3=O)[C@@]([C@@H](CCC(C(C(OC)=O)C)=C)C)(CC4)[H])[H])CC[C@]1([C@H](C)C(=O)CC2)[H]

Canonical SMILES

O=C1C2=C(CCC3C(C(=O)CCC23C)C)C4CCC(C(C)CCC(=C)C(C(=O)OC)C)C4(C)C1

Other Names for this Substance

  • Ergosta-8,24(28)-dien-26-oic acid, 4-methyl-3,11-dioxo-, methyl ester, (4α,5α)-
  • Methyl antcinate A
  • Antcin A methyl ester

Deleted or Replaced CAS Registry Numbers

1256768-28-1