Chem
J-GLOBAL ID：200907016402562106   Nikkaji number：J20.665B

Deoxymorellin

デオキシモレリン
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： C33H38O6
Molecular formula furigana： C33-H38-O6
Molecular weight： 530.661
InChI： InChI=1S/C33H38O6/c1-17(2)9-10-21-27-20(12-13-30(5,6)37-27)25(34)24-26(35)22-15-19-16-23-31(7,8)39-32(29(19)36,14-11-18(3)4)33(22,23)38-28(21)24/h9,11-13,15,19,23,34H,10,14,16H2,1-8H3/t19-,23+,32+,33-/m1/s1
InChI key： VZQQLPACAVHZQT-HMEMLMEYSA-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(CC=C(C)C)OC5(C)C)C
Systematic name  (3)：
  • (1R,14aS)-3,3aβ,4,5-テトラヒドロ-8-ヒドロキシ-3,3,11,11-テトラメチル-1,13-ビス(3-メチル-2-ブテニル)-1α,5α-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
  • (1S,2S,17S,19R)-12-ヒドロキシ-8,8,21,21-テトラメチル-5,19-ビス(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
  • (1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5,19-bis(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 (6)：
  • デオキシモレリン
  • Deoxymorellin
  • Desoxymorellin
  • デスオキシモレリン
  • (1R,14aS)-3,3aβ,4,5-Tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-1,13-bis(3-methyl-2-butenyl)-1α,5α-methano-7H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-7,15-dione
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CAS registry number： 1064-34-2
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