Chem
J-GLOBAL ID：201707006738849907   Nikkaji number：J3.652.626B

PM-01183

酢酸(1R,2R,3R,11S,12S,14R,26R)-5,12-ジヒドロキシ-6-メトキシ-7,21,30-トリメチル-27-オキソ-26,26-[(5-メトキシ-1H-インドール-2,3-ジイル)エチレンイミノ]-17,19,28-トリオキサ-24-チア-13,30-ジアザヘプタシクロ[12.9.6.13,11.02,13.04,9.015,23.016,20]トリアコンタン-4(9),5,7,15(23),16(20),21-ヘキサエン-22-イル
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： C41H44N4O10S
Molecular formula furigana： C41-H44-N4-O10-S
Molecular weight： 784.880
InChI： InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1
InChI key： YDDMIZRDDREKEP-HWTBNCOESA-N
SMILES： COc1ccc2[nH]c3c(CCN[C@@]43CS[C@H]3[C@H]5[C@@H]6N(C)[C@@H](Cc7cc(C)c(OC)c(O)c67)[C@H](O)N5[C@@H](COC4=O)c4c5OCOc5c(C)c(OC(=O)C)c34)c2c1
Systematic name  (1)：
  • 酢酸(1R,2R,3R,11S,12S,14R,26R)-5,12-ジヒドロキシ-6-メトキシ-7,21,30-トリメチル-27-オキソ-26,26-[(5-メトキシ-1H-インドール-2,3-ジイル)エチレンイミノ]-17,19,28-トリオキサ-24-チア-13,30-ジアザヘプタシクロ[12.9.6.13,11.02,13.04,9.015,23.016,20]トリアコンタン-4(9),5,7,15(23),16(20),21-ヘキサエン-22-イル
Other name (2)：
  • Acetic acid (1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-6-methoxy-7,21,30-trimethyl-27-oxo-26,26-[(5-methoxy-1H-indole-2,3-diyl)ethyleneimino]-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane-4(9),5,7,15(23),16(20),21-hexaene-22-yl ester
  • PM-01183
Thsaurus map：
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