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-dihydroxybenzoic acid

CAS Registry Number®

1186428-91-0

CAS Name

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-dihydroxybenzoic acid

Molecular Formula

C24H27NO7

Molecular Mass

441.47

Cite this Page

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-dihydroxybenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1186428-91-0 (retrieved 2024-11-22) (CAS RN: 1186428-91-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18-,23+,24+/m1/s1

InChIKey

InChIKey=KCPPASJQWABQQM-XLJNEENLSA-N

SMILES

O[C@H]1[C@@]23[C@]([C@@](CCC(NC4=C(O)C(C(O)=O)=CC=C4O)=O)(C)C(=O)C=C2)(C[C@](C1)(C(=C)C3)[H])[H]

Canonical SMILES

O=C(O)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-
  • 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-dihydroxybenzoic acid
  • Platencin A1

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