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Substance Name: 7-Dis-O-methylnogalarol
RN: 62421-98-1
InChIKey: FPRLSOWAIWHLNX-QNLVAMJLSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C30-H33-N-O12

Molecular Weight

  • 599.586
 
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Names and Synonyms

Results Name

  • 7-Dis-O-methylnogalarol

Synonyms

  • 7-O-Methyl nogalarol
  • O-Methyl nogalarol

Systematic Name

  • 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-6,13-dimethyl-9,16-dioxo-8-methoxy-3,5,10,11,13-pentahydroxy-, methyl ester, (2-alpha,3-beta,4-alpha,5-beta,6-alpha,11-beta,13-alpha,14-alpha)-

Registry Numbers

CAS Registry Number

  • 62421-98-1

System Generated Number

  • 0062421981

Structure Descriptors

InChI

1S/C30H33NO12/c1-29(39)9-13(32)15-10(19(29)27(38)41-6)7-11-16(22(15)34)23(35)17-14(40-5)8-12-25(18(17)21(11)33)42-28-24(36)20(31(3)4)26(37)30(12,2)43-28/h7-8,13,19-20,24,26,28,32,34,36-37,39H,9H2,1-6H3/t13-,19-,20+,24-,26+,28-,29-,30-/m1/s1

InChIKey

FPRLSOWAIWHLNX-QNLVAMJLSA-N

Smiles

O1c2c([C@@]3([C@H]([C@H]([C@H]([C@@H]1O3)O)N(C)C)O)C)cc(c1C(c3c(c4[C@@H](C[C@]([C@H](c4cc3C(c21)=O)C(=O)OC)(O)C)O)O)=O)OC