NSC 18334
AlkaPlorer ID: AK004402
Synonym: 'Cinerubine A', 'WLN: L E6 C666 BV MVT&&&J DQ HQ H2 IVQ OQ RQ FO- FT6OTJ B1 DN1&1 CO- FT6OTJ B1 DQ CO- FT6O CVTJ B1', 'Spartanamicin B', '34044-10-5', '1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-2,3,6-trideoxy-4-O-2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosy-', '1-Naphthacenecarboxylic acid, 1-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyloxy-, methyl ester (1R-(1.alpha.,2.beta.,4.beta.))-', 'NSC 267694', 'Rhodirubin C', 'CINERUBIN A', '1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-2,3,6-trideoxy-4-O-2,6-dideoxy-4-O-(2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl-.alpha.-L-lyxo-hexopyranosyl-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyloxy-, methyl ester,1R-(1.alpha.,2.beta.,4.beta.)-'
IUPAC Name: methyl (1R,2S,4R)-4-[(2R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2R,6R)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Structure
SMILES: CC[C@]1(O)C[C@@H](O[C@H]2C[C@@H](N(C)C)[C@H](O[C@H]3C[C@@H](O)[C@H](O[C@H]4CCC(=O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=C(O)C=CC(O)=C1C3=O
InChI: InChI=1S/C42H53NO16/c1-8-42(52)16-27(31-20(35(42)41(51)53-7)13-21-32(37(31)49)38(50)34-25(46)10-9-24(45)33(34)36(21)48)57-29-14-22(43(5)6)39(18(3)55-29)59-30-15-26(47)40(19(4)56-30)58-28-12-11-23(44)17(2)54-28/h9-10,13,17-19,22,26-30,35,39-40,45-47,49,52H,8,11-12,14-16H2,1-7H3/t17-,18-,19-,22-,26-,27-,28+,29+,30+,35+,39-,40-,42+/m1/s1
InChIKey: STUJMJDONFVTGM-NKKPIGFJSA-N
Source
Properties Information
Molecule Weight: 827.8770000000002
TPSA？: 237.28
MolLogP？: 2.863300000000002
Number of H-Donors: 5
Number of H-Acceptors: 17
RingCount: 7
Activities Information
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