Chem
J-GLOBAL ID:200907028841710780   Nikkaji number:J128.614E

Pluramycin A

プルラマイシンA
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: C43H52N2O11
Molecular formula furigana: C43-H52-N2-O11
Molecular weight: 772.892
InChI: InChI=1S/C43H52N2O11/c1-12-13-30-43(7,56-30)31-17-27(47)32-19(2)14-25-34(40(32)55-31)39(51)35-33(38(25)50)23(28-16-26(44(8)9)36(48)20(3)52-28)15-24(37(35)49)29-18-42(6,45(10)11)41(21(4)53-29)54-22(5)46/h12-15,17,20-21,26,28-30,36,41,48-49H,16,18H2,1-11H3/t20-,21+,26+,28-,29-,30?,36-,41-,42+,43?/m1/s1
InChI key: BQCHGWYGWQEMTJ-KEDVXWBZSA-N
SMILES: CC=CC1OC1(C)c1cc(=O)c2c(C)cc3C(=O)c4c(cc([C@H]5C[C@@](C)([C@H](OC(=O)C)[C@H](C)O5)N(C)C)c(O)c4C(=O)c3c2o1)[C@H]1C[C@@H]([C@H](O)[C@@H](C)O1)N(C)C
Systematic name  (3):
  • 10-[4-O-アセチル-3-(ジメチルアミノ)-3-C-メチル-2,3,6-トリデオキシ-α-L-lyxo-ヘキソピラノシル]-11-ヒドロキシ-5-メチル-2-[2-メチル-3-(1-プロペニル)オキシラニル]-8-[3-(ジメチルアミノ)-2,3,6-トリデオキシ-β-D-arabino-ヘキソピラノシル]-4H-アントラ[1,2-b]ピラン-4,7,12-トリオン
  • (2S,3S,4S,6R)-4-(ジメチルアミノ)-6-{8-[(2R,4S,5S,6R)-4-(ジメチルアミノ)-5-ヒドロキシ-6-メチルオキサン-2-イル]-11-ヒドロキシ-5-メチル-2-[2-メチル-3-(プロパ-1-エン-1-イル)オキシラン-2-イル]-4,7,12-トリオキソ-7,12-ジヒドロ-4H-1-オキサテトラフェン-10-イル}-2,4-ジメチルオキサン-3-イル アセタート
  • (2S,3S,4S,6R)-4-(dimethylamino)-6-{8-[(2R,4S,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(prop-1-en-1-yl)oxiran-2-yl]-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-10-yl}-2,4-dimethyloxan-3-yl acetate
Other name (3):
  • プルラマイシンA
  • Pluramycin A
  • 10-[4-O-Acetyl-3-(dimethylamino)-3-C-methyl-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]-11-hydroxy-5-methyl-2-[2-methyl-3-(1-propenyl)oxiranyl]-8-[3-(dimethylamino)-2,3,6-trideoxy-β-D-arabino-hexopyranosyl]-4H-anthra[1,2-b]pyran-4,7,12-trione
CAS registry number: 11016-27-6
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