Chem
J-GLOBAL ID:200907001015637028   Nikkaji number:J2.376.097E

25-O-Deacetyl-3-[(2S)-6,6-dimethyl-4-oxo-2-piperidinyl]rifamycin SV

25-O-デアセチル-3-[(2S)-6,6-ジメチル-4-オキソ-2-ピペリジニル]リファマイシンSV
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: C42H56N2O12
Molecular formula furigana: C42-H56-N2-O12
Molecular weight: 780.912
InChI: InChI=1S/C42H56N2O12/c1-18-12-11-13-19(2)40(53)43-31-27(25-16-24(45)17-41(7,8)44-25)36(50)28-29(37(31)51)35(49)23(6)38-30(28)39(52)42(9,56-38)55-15-14-26(54-10)20(3)33(47)22(5)34(48)21(4)32(18)46/h11-15,18,20-22,25-26,32-34,44,46-51H,16-17H2,1-10H3,(H,43,53)/b12-11-,15-14-,19-13-/t18-,20+,21+,22-,25-,26-,32-,33+,34+,42-/m0/s1
InChI key: APAPNXFBZJHNOU-IJULXMKUSA-N
SMILES: CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c([C@@H]4CC(=O)CC(C)(C)N4)c(NC(=O)/C(=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)/C)c(O)c2c(O)c3C
Systematic name  (3):
  • 25-O-デアセチル-3-[(2S)-6,6-ジメチル-4-オキソ-2-ピペリジニル]リファマイシンSV
  • (7S,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-[(2S)-6,6-ジメチル-4-オキソピペリジン-2-イル]-2,13,15,17,27,29-ヘキサヒドロキシ-11-メトキシ-3,7,12,14,16,18,22-ヘプタメチル-8,30-ジオキサ-24-アザテトラシクロ[23.3.1.14,7.05,28]トリアコンタ-1,3,5(28),9,19,21,25(29),26-オクタエン-6,23-ジオン
  • (7S,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-[(2S)-6,6-dimethyl-4-oxopiperidin-2-yl]-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1,3,5(28),9,19,21,25(29),26-octaene-6,23-dione
Other name (1):
  • 25-O-Deacetyl-3-[(2S)-6,6-dimethyl-4-oxo-2-piperidinyl]rifamycin SV
Thsaurus map:

Return to Previous Page