Methyl 3-[[3-[(2S,4S,4aS,8S,8aR)-1,3,4,7,8,8a-hexahydro-4-hydroxy-8-methyl-3-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate

CAS Registry Number®

1263065-27-5

CAS Name

Methyl 3-[[3-[(2S,4S,4aS,8S,8aR)-1,3,4,7,8,8a-hexahydro-4-hydroxy-8-methyl-3-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate

Molecular Formula

C25H29NO7

Molecular Mass

455.50

Cite this Page

Methyl 3-[[3-[(2S,4S,4aS,8S,8aR)-1,3,4,7,8,8a-hexahydro-4-hydroxy-8-methyl-3-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-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=1263065-27-5 (retrieved 2024-11-26) (CAS RN: 1263065-27-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H29NO7/c1-13-14-6-10-25(22(13)31)11-7-18(28)24(2,17(25)12-14)9-8-19(29)26-20-16(27)5-4-15(21(20)30)23(32)33-3/h4-5,7,11,14,17,22,27,30-31H,1,6,8-10,12H2,2-3H3,(H,26,29)/t14-,17-,22-,24-,25-/m0/s1

InChIKey

InChIKey=BFEICNQOVVWVIP-CDVZQOEQSA-N

SMILES

O[C@@H]1[C@]23[C@]([C@@](CCC(NC4=C(O)C(C(OC)=O)=CC=C4O)=O)(C)C(=O)C=C2)(C[C@@](C1=C)(CC3)[H])[H]

Canonical SMILES

O=C(OC)C1=CC=C(O)C(NC(=O)CCC2(C(=O)C=CC34CCC(C(=C)C3O)CC42)C)=C1O

Other Names for this Substance

  • Benzoic acid, 3-[[3-[(2S,4S,4aS,8S,8aR)-1,3,4,7,8,8a-hexahydro-4-hydroxy-8-methyl-3-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxy-, methyl ester
  • Methyl 3-[[3-[(2S,4S,4aS,8S,8aR)-1,3,4,7,8,8a-hexahydro-4-hydroxy-8-methyl-3-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate

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