Crispane

CAS Registry Number®

79803-28-4
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CAS Name

Crispane

Molecular Formula

C20H32O3

Molecular Mass

320.47

Cite this Page

Crispane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79803-28-4 (retrieved 2024-09-19) (CAS RN: 79803-28-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H32O3/c1-7-15(5)18(21)23-17-12-14(4)8-11-20(22)16(13(2)3)9-10-19(17,20)6/h7,12-13,16-17,22H,8-11H2,1-6H3/b15-7-/t16-,17-,19-,20+/m1/s1

InChIKey

InChIKey=MOIRVQWYMSQLSJ-JFQVTATKSA-N

SMILES

C[C@@]12[C@@](O)([C@@H]([C@@H](C)C)CC1)CCC(C)=C[C@H]2OC(/C(=C\C)/C)=O

Canonical SMILES

O=C(OC1C=C(C)CCC2(O)C(CCC12C)C(C)C)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1R,3aR,4R,8aS)-1,2,3,3a,4,7,8,8a-octahydro-8a-hydroxy-3a,6-dimethyl-1-(1-methylethyl)-4-azulenyl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, 1,2,3,3a,4,7,8,8a-octahydro-8a-hydroxy-3a,6-dimethyl-1-(1-methylethyl)-4-azulenyl ester, [1R-[1α,3aα,4β(Z),8aα]]-
  • Crispane
  • 1α-Angeloyloxycarotol

Deleted or Replaced CAS Registry Numbers

141797-26-4