(4Z,4aR,7R,8aR)-4-Ethylidene-3,4,4a,7,8,8a-hexahydro-8-methylene-5-(1-methylethyl)-3-oxo-1H-2-benzopyran-7-yl (2E)-3-methyl-2-pentenoate

CAS Registry Number®

189389-03-5

CAS Name

(4Z,4aR,7R,8aR)-4-Ethylidene-3,4,4a,7,8,8a-hexahydro-8-methylene-5-(1-methylethyl)-3-oxo-1H-2-benzopyran-7-yl (2E)-3-methyl-2-pentenoate

Molecular Formula

C21H28O4

Molecular Mass

344.44

Cite this Page

(4Z,4aR,7R,8aR)-4-Ethylidene-3,4,4a,7,8,8a-hexahydro-8-methylene-5-(1-methylethyl)-3-oxo-1H-2-benzopyran-7-yl (2E)-3-methyl-2-pentenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189389-03-5 (retrieved 2024-11-08) (CAS RN: 189389-03-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28O4/c1-7-13(5)9-19(22)25-18-10-16(12(3)4)20-15(8-2)21(23)24-11-17(20)14(18)6/h8-10,12,17-18,20H,6-7,11H2,1-5H3/b13-9+,15-8-/t17-,18+,20-/m0/s1

InChIKey

InChIKey=DGIQURYKMOLFSK-PAXWMACESA-N

SMILES

C(C)(C)C=1[C@]\2([C@](C(=C)[C@H](OC(/C=C(/CC)\C)=O)C1)(COC(=O)/C2=C\C)[H])[H]

Canonical SMILES

O=C(OC1C=C(C2C(=CC)C(=O)OCC2C1=C)C(C)C)C=C(C)CC

Other Names for this Substance

  • 2-Pentenoic acid, 3-methyl-, (4Z,4aR,7R,8aR)-4-ethylidene-3,4,4a,7,8,8a-hexahydro-8-methylene-5-(1-methylethyl)-3-oxo-1H-2-benzopyran-7-yl ester, (2E)-
  • 2-Pentenoic acid, 3-methyl-, 4-ethylidene-3,4,4a,7,8,8a-hexahydro-8-methylene-5-(1-methylethyl)-3-oxo-1H-2-benzopyran-7-yl ester, [4aR-[4Z,4aα,7β(E),8aβ]]-
  • (4Z,4aR,7R,8aR)-4-Ethylidene-3,4,4a,7,8,8a-hexahydro-8-methylene-5-(1-methylethyl)-3-oxo-1H-2-benzopyran-7-yl (2E)-3-methyl-2-pentenoate
  • Neotussilagolactone

CAS INSIGHTSTM
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