Methyl 3-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate

CAS Registry Number®

948914-61-2

CAS Name

Methyl 3-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate

Molecular Formula

C25H29NO7

Molecular Mass

455.50

Cite this Page

Methyl 3-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=948914-61-2 (retrieved 2024-11-22) (CAS RN: 948914-61-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H29NO7/c1-23(8-7-18(29)26-19-15(27)5-4-14(20(19)30)22(31)32-3)17(28)6-9-25-11-13-10-16(21(23)25)33-24(13,2)12-25/h4-6,9,13,16,21,27,30H,7-8,10-12H2,1-3H3,(H,26,29)/t13-,16+,21+,23-,24+,25+/m1/s1

InChIKey

InChIKey=BLKSEVPCJYYCLH-USZGVGCCSA-N

SMILES

C(CC(NC1=C(O)C(C(OC)=O)=CC=C1O)=O)[C@@]2(C)[C@]3([C@@]4(C[C@]5(C)O[C@]3(C[C@@]5(C4)[H])[H])C=CC2=O)[H]

Canonical SMILES

O=C(OC)C1=CC=C(O)C(NC(=O)CCC2(C(=O)C=CC34CC5CC(OC5(C)C3)C42)C)=C1O

Other Names for this Substance

  • Benzoic acid, 3-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]-2,4-dihydroxy-, methyl ester
  • Methyl 3-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate

CAS INSIGHTSTM
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