Chem
J-GLOBAL ID：200907046955623150   Nikkaji number：J710.369G

Isomoreollin B

イソモレオリンB
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： C34H40O8
Molecular formula furigana： C34-H40-O8
Molecular weight： 576.686
InChI： InChI=1S/C34H40O8/c1-17(2)9-10-20-27-19(12-13-31(4,5)40-27)25(36)23-26(37)24-29(39-8)21-15-22-32(6,7)42-33(30(21)38,14-11-18(3)16-35)34(22,24)41-28(20)23/h9,11-13,16,21-22,24,29,36H,10,14-15H2,1-8H3/b18-11+/t21-,22?,24?,29?,33-,34-/m0/s1
InChI key： PSPHEZYRWQNMDW-CPQPDHEPSA-N
SMILES： COC1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(\C)/C=O)(C2=O)[C@@]23Oc3c(CC=C(C)C)c4OC(C)(C)C=Cc4c(O)c3C(=O)C12
Systematic name  (3)：
  • (E)-2-メチル-4-[[(1R,14aS)-3aβ,4,5,6,6a,7-ヘキサヒドロ-8-ヒドロキシ-6-メトキシ-3,3,11,11-テトラメチル-13-(3-メチル-2-ブテニル)-7,15-ジオキソ-1α,5α-メタノ-3H,11H-フロ[3,4-g]ピラノ[3,2-b]キサンテン]-1-イル]-2-ブテナール
  • (2E)-4-[(1S,2S,17S,19R)-12-ヒドロキシ-16-メトキシ-8,8,21,21-テトラメチル-5-(3-メチルブタ-2-エン-1-イル)-14,18-ジオキソ-3,7,20-トリオキサヘキサシクロ[15.4.1.02,15.02,19.04,13.06,11]ドコサ-4,6(11),9,12-テトラエン-19-イル]-2-メチルブタ-2-エナール
  • (2E)-4-[(1S,2S,17S,19R)-12-hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12-tetraen-19-yl]-2-methylbut-2-enal
Other name (3)：
  • イソモレオリンB
  • Isomoreollin B
  • (E)-2-Methyl-4-[[(1R,14aS)-3aβ,4,5,6,6a,7-hexahydro-8-hydroxy-6-methoxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1α,5α-methano-3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen]-1-yl]-2-butenal
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