Ergolide

CAS Registry Number®

54999-07-4

CAS Name

Ergolide

Molecular Formula

C17H22O5

Molecular Mass

306.35

Cite this Page

Ergolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54999-07-4 (retrieved 2024-12-22) (CAS RN: 54999-07-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h8,11-12,14-15H,2,5-7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1

InChIKey

InChIKey=JCDZXDWMCKMXFF-MMLVVLEOSA-N

SMILES

O(C(C)=O)[C@@H]1[C@@]2(C)[C@]([C@H](C)C[C@]3([C@]1(C(=C)C(=O)O3)[H])[H])(CCC2=O)[H]

Canonical SMILES

O=C1OC2CC(C)C3CCC(=O)C3(C)C(OC(=O)C)C2C1=C

Other Names for this Substance

  • Azuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-, (3aR,4S,4aR,7aS,8R,9aS)-
  • Azuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-, [3aR-(3aα,4α,4aβ,7aα,8α,9aβ)]-
  • (3aR,4S,4aR,7aS,8R,9aS)-4-(Acetyloxy)decahydro-4a,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione
  • Dihydrobigelovin
  • Ergolide

CAS INSIGHTSTM
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