7β-(3-Ethyl-cis-crotonoyloxy)-1α-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone

CAS Registry Number®

80514-14-3
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CAS Name

7β-(3-Ethyl-cis-crotonoyloxy)-1α-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone

Molecular Formula

C26H38O5

Molecular Mass

430.58

Cite this Page

7β-(3-Ethyl-cis-crotonoyloxy)-1α-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80514-14-3 (retrieved 2024-08-15) (CAS RN: 80514-14-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H38O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,14,16,19-20,22-23,25H,8-10,13H2,1-7H3/b15-12+,18-11-/t16?,19-,20+,22-,23-,25-/m0/s1

InChIKey

InChIKey=XTQQLVJPORCMAK-NMNXYZJCSA-N

SMILES

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

Canonical SMILES

O=C(OC1C(=C)C2C(OC(=O)C(C)CC)C(=O)C(=CC)C2C(C1)C(C)C)C=C(C)CC

Other Names for this Substance

  • 2-Pentenoic acid, 3-methyl-, (1Z,3S,3aR,5R,7S,7aS)-1-ethylideneoctahydro-4-methylene-7-(1-methylethyl)-3-(2-methyl-1-oxobutoxy)-2-oxo-1H-inden-5-yl ester, (2E)-
  • 7β-[3′-Ethylcrotonoyloxy]-1α-[2′-methylbutyryloxy]-3, 14-dehydro-Z-notonipetranone
  • 7β-(3-Ethyl-cis-crotonoyloxy)-1α-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone