Chem
J-GLOBAL ID:201007081332966490
Nikkaji number:J2.820.598H
Thielocin B1
チエロシンB1
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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:
C53 H58 O17
Molecular formula furigana:
C53-H58-O17
Molecular weight:
967.030
InChI:
InChI=1S/C53H58O17/c1-19-23(5)41(30(12)44(63-15)34(19)49(56)57)69-52(61)36-21(3)25(7)40(29(11)46(36)65-17)67-48-27(9)33(38(54)28(10)39(48)55)51(60)68-43-26(8)22(4)37(47(66-18)32(43)14)53(62)70-42-24(6)20(2)35(50(58)59)45(64-16)31(42)13/h54-55H,1-18H3,(H,56,57)(H,58,59)
InChI key:
BOFISKFABQHONR-UHFFFAOYSA-N
SMILES:
COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Oc4c(C)c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)O)c(OC)c5C)c(OC)c4C)c(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(=O)O
Systematic name (5):
3-[4-[(4-カルボキシ-3-メトキシ-2,5,6-トリメチルフェノキシ)カルボニル]-3-メトキシ-2,5,6-トリメチルフェノキシ]2,5-ジメチル-4,6-ジヒドロキシ安息香酸1-[4-[(4-カルボキシ-3-メトキシ-2,5,6-トリメチルフェノキシ)カルボニル]-3-メトキシ-2,5,6-トリメチルフェニル]
3-[4-[(4-カルボキシ-3-メトキシ-2,5,6-トリメチルフェノキシ)カルボニル]-3-メトキシ-2,5,6-トリメチルフェノキシ]-4,6-ジヒドロキシ-2,5-ジメチル安息香酸1-[4-[(4-カルボキシ-3-メトキシ-2,5,6-トリメチルフェノキシ)カルボニル]-3-メトキシ-2,5,6-トリメチルフェニル]
4-[4-[3-[4-(4-カルボキシ-3-メトキシ-2,5,6-トリメチルフェノキシカルボニル)-3-メトキシ-2,5,6-トリメチルフェノキシ]-4,6-ジヒドロキシ-2,5-ジメチルベンゾイルオキシ]-2-メトキシ-3,5,6-トリメチルベンゾイルオキシ]-2-メトキシ-3,5,6-トリメチル安息香酸
4-[4-(3-{4-[(4-カルボキシ-3-メトキシ-2,5,6-トリメチルフェノキシ)カルボニル]-3-メトキシ-2,5,6-トリメチルフェノキシ}-4,6-ジヒドロキシ-2,5-ジメチルベンゾイルオキシ)-2-メトキシ-3,5,6-トリメチルベンゾイルオキシ]-2-メトキシ-3,5,6-トリメチル安息香酸
4-[4-(3-{4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenoxy}-4,6-dihydroxy-2,5-dimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoyloxy]-2-methoxy-3,5,6-trimethylbenzoic acid
Other name (9):
3-[4-[(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenoxy]2,5-dimethyl-4,6-dihydroxybenzoic acid 1-[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenyl] ester
チエロシンB1
Thielocin B1
3-[4-[(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenoxy]-4,6-dihydroxy-2,5-dimethylbenzoic acid 1-[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenyl] ester
チエロシンB-1
Thielocin B-1
4-[4-[3-[4-(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxycarbonyl)-3-methoxy-2,5,6-trimethylphenoxy]-4,6-dihydroxy-2,5-dimethylbenzoyloxy]-2-methoxy-3,5,6-trimethylbenzoyloxy]-2-methoxy-3,5,6-trimethylbenzoic acid
チエロシンB1
Thielocin B1
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CAS registry number:
144118-26-3
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