Chem
J-GLOBAL ID:200907054482376579
Nikkaji number:J2.183.766K
iRTX
ヨードレシニフェラトキシン
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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:
C37 H39 IO9
Molecular formula furigana:
C37-H39-I-O9
Molecular weight:
754.614
InChI:
InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36-,37-/m1/s1
InChI key:
TZUJORCXGLGWDV-DZBJMWFRSA-N
SMILES:
COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(=C)C)cc(I)c1O
Systematic name (3):
3-ヨード-4-ヒドロキシ-5-メトキシベンゼン酢酸[(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-6a-ヒドロキシ-8,10-ジメチル-11a-(1-メチルエテニル)-2-ベンジル-7-オキソ-2,9b-エポキシ-3a,3b,6,6a,7,9a,9b,10,11,11a-デカヒドロアズレノ[5,4-e]-1,3-ベンゾジオキソール]-5-イルメチル
[(1R,2R,6R,10S,11R,13S,15R,17R)-13-ベンジル-6-ヒドロキシ-4,17-ジメチル-5-オキソ-15-(プロパ-1-エン-2-イル)-12,14,18-トリオキサペンタシクロ[11.4.1.01,10 .02,6 .011,15 ]オクタデカ-3,8-ジエン-8-イル]メチル 2-(4-ヒドロキシ-3-ヨード-5-メトキシフェニル)アセタート
[(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.01,10 .02,6 .011,15 ]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-iodo-5-methoxyphenyl)acetate
Other name (6):
3-Iodo-4-hydroxy-5-methoxybenzeneacetic acid [(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-2-benzyl-7-oxo-2,9b-epoxy-3a,3b,6,6a,7,9a,9b,10,11,11a-decahydroazuleno[5,4-e]-1,3-benzodioxole]-5-ylmethyl ester
5′-Iodoresiniferatoxin
5′-ヨードレシニフェラトキシン
ヨードレシニフェラトキシン
Iodoresiniferatoxin
iRTX
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