2H-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, octahydro-2,2,5a,9-tetramethyl-, 6,10-diacetate 4,5-dibenzoate, (3R,4S,5R,5aS,6R,7S,9S,9aS,10R)-

CAS Registry Number®

111514-63-7
No image available.

CAS Name

2H-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, octahydro-2,2,5a,9-tetramethyl-, 6,10-diacetate 4,5-dibenzoate, (3R,4S,5R,5aS,6R,7S,9S,9aS,10R)-

Molecular Formula

C33H38O11

Molecular Mass

610.65

Cite this Page

2H-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, octahydro-2,2,5a,9-tetramethyl-, 6,10-diacetate 4,5-dibenzoate, (3R,4S,5R,5aS,6R,7S,9S,9aS,10R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=111514-63-7 (retrieved 2024-05-04) (CAS RN: 111514-63-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H38O11/c1-18(34)40-25-22(36)17-31(5,39)33-26(41-19(2)35)23(30(3,4)44-33)24(42-28(37)20-13-9-7-10-14-20)27(32(25,33)6)43-29(38)21-15-11-8-12-16-21/h7-16,22-27,36,39H,17H2,1-6H3/t22-,23+,24-,25-,26?,27-,31-,32-,33-/m0/s1

InChIKey

InChIKey=FOIOSVGAFMLLDU-OKEKZCNQSA-N

SMILES

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

Canonical SMILES

O=C(OC1C(OC(=O)C=2C=CC=CC2)C3(C)C(OC(=O)C)C(O)CC(O)(C)C43OC(C)(C)C1C4OC(=O)C)C=5C=CC=CC5

Other Names for this Substance

  • 2H-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, octahydro-2,2,5a,9-tetramethyl-, 6,10-diacetate 4,5-dibenzoate, (3R,4S,5R,5aS,6R,7S,9S,9aS,10R)-
  • 2H-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, octahydro-2,2,5a,9-tetramethyl-, 6,10-diacetate 4,5-dibenzoate, [3R-(3α,4β,5β,5aα,6α,7α,9β,9aα,10R*)]-
  • (-)-Triptofordin C 2
  • Triptofordin C 2

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser