Chem
J-GLOBAL ID：200907086657185800   Nikkaji number：J1.959.053D

2-Hydroxyswietemin

2-ヒドロキシスウィーテミン
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： C32H40O10
Molecular formula furigana： C32-H40-O10
Molecular weight： 584.662
InChI： InChI=1S/C32H40O10/c1-8-16(2)25(35)42-28-29(3,4)23(22(34)26(36)39-7)31(6)19-9-11-30(5)20(18(19)14-32(28,38)27(31)37)13-21(33)41-24(30)17-10-12-40-15-17/h8,10,12,14-15,19-20,22-24,28,34,38H,9,11,13H2,1-7H3/b16-8+/t19-,20-,22?,23-,24-,28-,30+,31-,32-/m0/s1
InChI key： OQEZZZJNCCREES-XYPPVDLZSA-N
SMILES： COC(=O)C(O)[C@H]1C(C)(C)[C@H](OC(=O)/C(=C/C)/C)[C@]2(O)C=C3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@]1(C)C2=O
Systematic name  (3)：
  • 2-[(1S,2S,5R,6R,10S,13R,14S,16S)-1,5,15,15-テトラメチル-6-(3-フリル)-8,17-ジオキソ-13-ヒドロキシ-14-[[(E)-2-メチル-2-ブテノイル]オキシ]-7-オキサテトラシクロ[11.3.1.02,11.05,10]ヘプタデカ-11-エン-16-イル]-2-ヒドロキシ酢酸メチル
  • (1S,2S,5R,6R,10S,13R,14S,16S)-6-(フラン-3-イル)-13-ヒドロキシ-16-(1-ヒドロキシ-2-メトキシ-2-オキソエチル)-1,5,15,15-テトラメチル-8,17-ジオキソ-7-オキサテトラシクロ[11.3.1.02,11.05,10]ヘプタデカ-11-エン-14-イル (2E)-2-メチルブタ-2-エノアート
  • (1S,2S,5R,6R,10S,13R,14S,16S)-6-(furan-3-yl)-13-hydroxy-16-(1-hydroxy-2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl (2E)-2-methylbut-2-enoate
Other name (3)：
  • 2-[(1S,2S,5R,6R,10S,13R,14S,16S)-1,5,15,15-Tetramethyl-6-(3-furyl)-8,17-dioxo-13-hydroxy-14-[[(E)-2-methyl-2-butenoyl]oxy]-7-oxatetracyclo[11.3.1.02,11.05,10]heptadeca-11-ene-16-yl]-2-hydroxyacetic acid methyl ester
  • 2-ヒドロキシスウィーテミン
  • 2-Hydroxyswietemin
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