Methyl 3-[[3-[(2S,3S,4aR,8S,8aR)-1,3,4,7,8,8a-hexahydro-3-hydroxy-8-methyl-10-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate

CAS Registry Number®

1263065-26-4

CAS Name

Methyl 3-[[3-[(2S,3S,4aR,8S,8aR)-1,3,4,7,8,8a-hexahydro-3-hydroxy-8-methyl-10-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,3S,4aR,8S,8aR)-1,3,4,7,8,8a-hexahydro-3-hydroxy-8-methyl-10-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=1263065-26-4 (retrieved 2024-11-22) (CAS RN: 1263065-26-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H29NO7/c1-13-11-25-9-6-19(29)24(2,18(25)10-15(13)17(28)12-25)8-7-20(30)26-21-16(27)5-4-14(22(21)31)23(32)33-3/h4-6,9,15,17-18,27-28,31H,1,7-8,10-12H2,2-3H3,(H,26,30)/t15-,17-,18-,24-,25+/m0/s1

InChIKey

InChIKey=AWKBYGDVFUXVBB-OUBSXGCGSA-N

SMILES

C(CC(NC1=C(O)C(C(OC)=O)=CC=C1O)=O)[C@@]2(C)[C@]3([C@@]4(CC(=C)[C@](C3)([C@@H](O)C4)[H])C=CC2=O)[H]

Canonical SMILES

O=C(OC)C1=CC=C(O)C(NC(=O)CCC2(C(=O)C=CC34CC(=C)C(CC32)C(O)C4)C)=C1O

Other Names for this Substance

  • Benzoic acid, 3-[[3-[(2S,3S,4aR,8S,8aR)-1,3,4,7,8,8a-hexahydro-3-hydroxy-8-methyl-10-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxy-, methyl ester
  • Methyl 3-[[3-[(2S,3S,4aR,8S,8aR)-1,3,4,7,8,8a-hexahydro-3-hydroxy-8-methyl-10-methylene-7-oxo-2H-2,4a-ethanonaphthalen-8-yl]-1-oxopropyl]amino]-2,4-dihydroxybenzoate

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