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Substance Name: BRN 4646716
RN: 91887-41-1
InChIKey: OFQPGRYAUJCEPC-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C42-H52-N2-O19

Molecular Weight

  • 888.8678
 
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Names and Synonyms

Results Name

  • BRN 4646716

Synonym

  • BRN 4646716

Systematic Name

  • 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 5-((2,6-dideoxy-4-O-(2,3,6-trideoxy-3-C-methyl-3-nitro-beta-L-ribo-hexopyranosyl)-alpha-L-lyxo-hexopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,8,10,11,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-,methyl ester (2R-(2-alpha,3-beta,4-alpha,5-alpha,6-alpha,11-beta,13-alpha,14-alpha))-

Registry Numbers

CAS Registry Number

  • 91887-41-1

System Generated Number

  • 0091887411

Structure Descriptors

InChI

1S/C42H52N2O19/c1-14-34(60-23-13-40(3,44(55)56)36(52)15(2)59-23)20(46)11-22(58-14)61-37-29(43(6)7)33(51)39-62-35-18(42(37,5)63-39)10-19(45)26-27(35)30(48)17-9-16-24(31(49)25(17)32(26)50)21(47)12-41(4,54)28(16)38(53)57-8/h9-10,14-15,20-23,28-29,33-34,36-37,39,45-47,49,51-52,54H,11-13H2,1-8H3

InChIKey

OFQPGRYAUJCEPC-UHFFFAOYSA-N

Smiles

COC(=O)C1c2cc3C(=O)c4c5OC6OC(C)(C(OC7CC(O)C(OC8CC(C)(C(O)C(C)O8)[N+](=O)[O-])C(C)O7)C(C6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c2C(O)CC1(C)O