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-dihydroxybenzoic acid

CAS Registry Number®

1220859-69-7

CAS Name

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-dihydroxybenzoic acid

Molecular Formula

C24H27NO7

Molecular Mass

441.47

Cite this Page

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-dihydroxybenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1220859-69-7 (retrieved 2024-11-22) (CAS RN: 1220859-69-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H27NO7/c1-12-10-24-8-5-18(28)23(2,17(24)9-14(12)16(27)11-24)7-6-19(29)25-20-15(26)4-3-13(21(20)30)22(31)32/h3-5,8,14,16-17,26-27,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t14-,16-,17-,23-,24+/m0/s1

InChIKey

InChIKey=VABLHCSPDCPVNA-WXPHICKRSA-N

SMILES

C(CC(NC1=C(O)C(C(O)=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(O)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-
  • 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-dihydroxybenzoic acid
  • Platencin A2

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