(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate

CAS Registry Number®

52617-35-3

CAS Name

(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate

Molecular Formula

C20H28O6

Molecular Mass

364.43

Cite this Page

(3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52617-35-3 (retrieved 2024-11-08) (CAS RN: 52617-35-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O6/c1-5-11(2)19(23)26-18-16(12(3)7-6-8-21)14(10-22)9-15-17(18)13(4)20(24)25-15/h5,12,15,17-18,21-22H,4,6-10H2,1-3H3/b11-5-/t12-,15+,17+,18+/m0/s1

InChIKey

InChIKey=FCDRLRIIZKINNV-WLHXTXINSA-N

SMILES

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

Canonical SMILES

O=C(OC1C(=C(CO)CC2OC(=O)C(=C)C12)C(C)CCCO)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (3aR,4S,7aR)-2,3,3a,4,7,7a-hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, 2,3,3a,4,7,7a-hexahydro-6-(hydroxymethyl)-5-(4-hydroxy-1-methylbutyl)-3-methylene-2-oxo-4-benzofuranyl ester, [3aα,4α(Z),5(S*),7aα]-(-)-
  • (3aR,4S,7aR)-2,3,3a,4,7,7a-Hexahydro-6-(hydroxymethyl)-5-[(1S)-4-hydroxy-1-methylbutyl]-3-methylene-2-oxo-4-benzofuranyl (2Z)-2-methyl-2-butenoate
  • Eriolangin
  • NSC 182855

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CAS INSIGHTSTM
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