Chem
J-GLOBAL ID:200907017828220365   Nikkaji number:J12.944E

Morellinol

モレリノール
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: C33H38O7
Molecular formula furigana: C33-H38-O7
Molecular weight: 546.660
InChI: InChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,19,23,34-35H,9,13,15-16H2,1-7H3/b18-10-/t19-,23+,32-,33+/m0/s1
InChI key: UWZMGTSPGQXAAP-LTBZWJEGSA-N
SMILES: CC(=CCc1c2O[C@@]34[C@@H]5C[C@H](C=C3C(=O)c2c(O)c2C=CC(C)(C)Oc12)C(=O)[C@]4(C/C=C(/C)\CO)OC5(C)C)C
Systematic name  (3):
  • (1R,14aS)-3,3aα,4,5-テトラヒドロ-8-ヒドロキシ-1-[(Z)-4-ヒドロキシ-3-メチル-2-ブテニル]-3,3,11,11-テトラメチル-13-(3-メチル-2-ブテニル)-1,5β-メタノ-7H,11H-フロ[3,4-g]ピラノ[3,2-b]キサンテン-7,15-ジオン
  • (1R,2S,17R,19R)-12-ヒドロキシ-19-[(2Z)-4-ヒドロキシ-3-メチルブタ-2-エン-1-イル]-8,8,21,21-テトラメチル-5-(3-メチルブタ-2-エン-1-イル)-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-14,18-ジオン
  • (1R,2S,17R,19R)-12-hydroxy-19-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaene-14,18-dione
Other name (3):
  • モレリノール
  • Morellinol
  • (1R,14aS)-3,3aα,4,5-Tetrahydro-8-hydroxy-1-[(Z)-4-hydroxy-3-methyl-2-butenyl]-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-1,5β-methano-7H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-7,15-dione
CAS registry number: 55452-65-8
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