(+)-Petasin

CAS Registry Number®

26577-85-5
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CAS Name

(+)-Petasin

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

(+)-Petasin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26577-85-5 (retrieved 2024-05-12) (CAS RN: 26577-85-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    65-68 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,16,18H,2,8-9,11H2,1,3-6H3/b13-7-/t14-,16-,18+,20+/m0/s1

InChIKey

InChIKey=ISTBXSFGFOYLTM-NZEDGPFZSA-N

SMILES

C[C@@]12C(=CC(=O)[C@H](C(C)=C)C1)CC[C@@H](OC(/C(=C\C)/C)=O)[C@@H]2C

Canonical SMILES

O=C(OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1R,2R,7S,8aR)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-6-oxo-2-naphthalenyl ester, (2Z)-
  • Petasin
  • Eremophila-9,11-dien-8-one, 3α-hydroxy-, 2-methylcrotonate, (Z)-
  • 2-Butenoic acid, 2-methyl-, 1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-6-oxo-2-naphthalenyl ester, [1R-[1α,2β(Z),7β,8aα]]-
  • Crotonic acid, 2-methyl-, ester with 3α-hydroxy-eremophila-9,11-dien-8-one, (Z)-

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