(3S,4R,4aS,5R,8R,9aR)-4-(Benzoyloxy)-3-(3-furanyl)hexahydro-5-methyl-5,8-methano-1H-pyrano[3,4-d]oxepin-1,6(5H)-dione

CAS Registry Number®

33340-30-6

CAS Name

(3S,4R,4aS,5R,8R,9aR)-4-(Benzoyloxy)-3-(3-furanyl)hexahydro-5-methyl-5,8-methano-1H-pyrano[3,4-d]oxepin-1,6(5H)-dione

Molecular Formula

C22H20O7

Molecular Mass

396.39

Cite this Page

(3S,4R,4aS,5R,8R,9aR)-4-(Benzoyloxy)-3-(3-furanyl)hexahydro-5-methyl-5,8-methano-1H-pyrano[3,4-d]oxepin-1,6(5H)-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33340-30-6 (retrieved 2025-01-04) (CAS RN: 33340-30-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H20O7/c1-22-10-14(27-21(22)25)9-15-16(22)18(29-19(23)12-5-3-2-4-6-12)17(28-20(15)24)13-7-8-26-11-13/h2-8,11,14-18H,9-10H2,1H3/t14-,15-,16-,17+,18-,22-/m1/s1

InChIKey

InChIKey=JLFUOYRQSZADHD-NVKOURDFSA-N

SMILES

O(C(=O)C1=CC=CC=C1)[C@@H]2[C@@]3([C@@]4(C)C[C@@](C[C@]3(C(=O)O[C@H]2C=5C=COC5)[H])(OC4=O)[H])[H]

Canonical SMILES

O=C(OC1C(OC(=O)C2CC3OC(=O)C(C)(C3)C12)C4=COC=C4)C=5C=CC=CC5

Other Names for this Substance

  • 5,8-Methano-1H-pyrano[3,4-d]oxepin-1,6(5H)-dione, 4-(benzoyloxy)-3-(3-furanyl)hexahydro-5-methyl-, (3S,4R,4aS,5R,8R,9aR)-
  • 5,8-Methano-1H-pyrano[3,4-d]oxepin-1,6(5H)-dione, 4-(benzoyloxy)-3-(3-furanyl)hexahydro-5-methyl-, (3α,4β,4aα,5α,8α,9aβ)-(+)-
  • (3S,4R,4aS,5R,8R,9aR)-4-(Benzoyloxy)-3-(3-furanyl)hexahydro-5-methyl-5,8-methano-1H-pyrano[3,4-d]oxepin-1,6(5H)-dione
  • Collybolide

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