Chem
J-GLOBAL ID:200907057101723137   Nikkaji number:J1.596.323I

(12R,13S)-4′-O-De(2,6-dideoxy-3-methyl-α-L-ribo-hexopyranosyl)-9-deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycin V 3-acetate

(12R,13S)-4′-O-デ(2,6-ジデオキシ-3-メチル-α-L-ribo-ヘキソピラノシル)-9-デオキシ-12,13-エポキシ-12,13-ジヒドロ-9-オキソロイコマイシンV3-アセタート
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C30H47NO12
Molecular formula furigana: C30-H47-N-O12
Molecular weight: 613.701
InChI: InChI=1S/C30H47NO12/c1-15-12-19(10-11-32)28(43-30-27(37)25(31(5)6)26(36)17(3)40-30)29(38-7)23(41-18(4)33)14-24(35)39-16(2)13-22-21(42-22)9-8-20(15)34/h8-9,11,15-17,19,21-23,25-30,36-37H,10,12-14H2,1-7H3/b9-8+/t15-,16-,17-,19+,21-,22+,23-,25+,26-,27-,28+,29?,30+/m1/s1
InChI key: RIIMEYZMYDBHPE-VRRCOYKJSA-N
SMILES: COC1[C@@H](CC(=O)O[C@H](C)C[C@@H]2O[C@@H]2/C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)N(C)C)OC(=O)C
Systematic name  (3):
  • (12R,13S)-4′-O-デ(2,6-ジデオキシ-3-メチル-α-L-ribo-ヘキソピラノシル)-9-デオキシ-12,13-エポキシ-12,13-ジヒドロ-9-オキソロイコマイシンV3-アセタート
  • (1S,3R,7R,8S,9S,10R,12R,14E,16R)-9-{[(2S,3R,4S,5S,6R)-4-(ジメチルアミノ)-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-8-メトキシ-3,12-ジメチル-5,13-ジオキソ-10-(2-オキソエチル)-4,17-ジオキサビシクロ[14.1.0]ヘプタデカ-14-エン-7-イル アセタート
  • (1S,3R,7R,8S,9S,10R,12R,14E,16R)-9-{[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl acetate
Other name (1):
  • (12R,13S)-4′-O-De(2,6-dideoxy-3-methyl-α-L-ribo-hexopyranosyl)-9-deoxy-12,13-epoxy-12,13-dihydro-9-oxoleucomycin V 3-acetate
CAS registry number: 85179-34-6
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