Methyl 3-[[3-[(2R,4aR,8S,8aR,9R)-1,3,4,7,8,8a-hexahydro-9-hydroxy-8-methyl-3-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate

CAS Registry Number®

1186428-92-1

CAS Name

Methyl 3-[[3-[(2R,4aR,8S,8aR,9R)-1,3,4,7,8,8a-hexahydro-9-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-[(2R,4aR,8S,8aR,9R)-1,3,4,7,8,8a-hexahydro-9-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=1186428-92-1 (retrieved 2025-02-19) (CAS RN: 1186428-92-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H29NO7/c1-13-12-25-9-6-18(28)24(2,17(25)10-14(13)11-19(25)29)8-7-20(30)26-21-16(27)5-4-15(22(21)31)23(32)33-3/h4-6,9,14,17,19,27,29,31H,1,7-8,10-12H2,2-3H3,(H,26,30)/t14-,17+,19-,24+,25+/m1/s1

InChIKey

InChIKey=FHEDZLXSZGPRCC-GPDGHYKFSA-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(=C)C3)[H])[H]

Canonical SMILES

O=C(OC)C1=CC=C(O)C(NC(=O)CCC2(C(=O)C=CC34CC(=C)C(CC3O)CC42)C)=C1O

Other Names for this Substance

  • Benzoic acid, 3-[[3-[(2R,4aR,8S,8aR,9R)-1,3,4,7,8,8a-hexahydro-9-hydroxy-8-methyl-3-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxy-, methyl ester
  • Methyl 3-[[3-[(2R,4aR,8S,8aR,9R)-1,3,4,7,8,8a-hexahydro-9-hydroxy-8-methyl-3-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate

CAS INSIGHTSTM
Lithium-ion battery