(3R,5S,5aS,6S,9S,9aS,10R)-6-(Benzoyloxy)octahydro-9,10-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl (2E)-3-phenyl-2-propenoate

CAS Registry Number®

268541-27-1

CAS Name

(3R,5S,5aS,6S,9S,9aS,10R)-6-(Benzoyloxy)octahydro-9,10-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl (2E)-3-phenyl-2-propenoate

Molecular Formula

C31H36O7

Molecular Mass

520.61

Cite this Page

(3R,5S,5aS,6S,9S,9aS,10R)-6-(Benzoyloxy)octahydro-9,10-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl (2E)-3-phenyl-2-propenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=268541-27-1 (retrieved 2025-01-07) (CAS RN: 268541-27-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H36O7/c1-28(2)22-19-24(36-25(32)16-15-20-11-7-5-8-12-20)30(4)23(37-27(34)21-13-9-6-10-14-21)17-18-29(3,35)31(30,38-28)26(22)33/h5-16,22-24,26,33,35H,17-19H2,1-4H3/b16-15+/t22-,23+,24+,26?,29+,30+,31+/m1/s1

InChIKey

InChIKey=GQAHAEXXOMVFFF-RDVXSFGOSA-N

SMILES

C[C@@]12[C@]3(C(O)[C@]([C@](C)(C)O3)(C[C@@H]1OC(/C=C/C4=CC=CC=C4)=O)[H])[C@@](C)(O)CC[C@@H]2OC(=O)C5=CC=CC=C5

Canonical SMILES

O=C(OC1CC2C(O)C3(OC2(C)C)C(O)(C)CCC(OC(=O)C=4C=CC=CC4)C13C)C=CC=5C=CC=CC5

Other Names for this Substance

  • 2-Propenoic acid, 3-phenyl-, (3R,5S,5aS,6S,9S,9aS,10R)-6-(benzoyloxy)octahydro-9,10-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester, (2E)-
  • (3R,5S,5aS,6S,9S,9aS,10R)-6-(Benzoyloxy)octahydro-9,10-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl (2E)-3-phenyl-2-propenoate

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