Chem
J-GLOBAL ID：200907045012061432   Nikkaji number：J146.461B

Morellic acid

モレリン酸
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： C33H36O8
Molecular formula furigana： C33-H36-O8
Molecular weight： 560.643
InChI： InChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(34)23-25(35)21-14-18-15-22-31(6,7)41-32(28(18)36,13-10-17(3)29(37)38)33(21,22)40-27(20)23/h8,10-12,14,18,22,34H,9,13,15H2,1-7H3,(H,37,38)
InChI key： COVMVPHACFXMAX-UHFFFAOYSA-N
SMILES： CC(=CCc1c2OC34C5CC(C=C3C(=O)c2c(O)c2C=CC(C)(C)Oc12)C(=O)C4(CC=C(C)C(=O)O)OC5(C)C)C
Systematic name  (4)：
  • 2-メチル-4-[3a,4,5,7-テトラヒドロ-8-ヒドロキシ-7,15-ジオキソ-3,3,11,11-テトラメチル-13-(3-メチル-2-ブテニル)-1,5-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-ブテン酸
  • 2-メチル-4-[3a,4,5,7-テトラヒドロ-8-ヒドロキシ-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-1,5-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-ブテン酸
  • 4-[12-ヒドロキシ-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),9,12,15-ペンタエン-19-イル]-2-メチルブタ-2-エン酸
  • 4-[12-hydroxy-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),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid
Other name (5)：
  • Morellic acid
  • モレル酸
  • モレリン酸
  • 2-Methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-butenoic acid
  • 2-Methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-7,15-dioxo-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-1,5-methano-3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-butenoic acid
CAS registry number： 5304-71-2
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