Chem
J-GLOBAL ID：200907079812445672   Nikkaji number：J2.771.379C

2-Benzoyl-3,5-dihydroxy-4-[[(1S,2R,5R)-2-hydroxy-2-methyl-5-isopropenylcyclopentyl]methyl]-6,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadiene-1-one

2-ベンゾイル-3,5-ジヒドロキシ-4-[[(1S,2R,5R)-2-ヒドロキシ-2-メチル-5-イソプロペニルシクロペンチル]メチル]-6,6-ビス(3-メチル-2-ブテニル)-2,4-シクロヘキサジエン-1-オン
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： C33H42O5
Molecular formula furigana： C33-H42-O5
Molecular weight： 518.693
InChI： InChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)25(19-26-24(22(5)6)15-16-32(26,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24,26,35-36,38H,5,15-19H2,1-4,6-7H3/t24-,26-,32+/m0/s1
InChI key： NTCBJJMOLYDOIE-TXADOWMCSA-N
SMILES： CC(=CCC1(CC=C(C)C)C(=C(C[C@H]2[C@@H](CC[C@@]2(C)O)C(=C)C)C(=C(C(=O)c2ccccc2)C1=O)O)O)C
Systematic name  (3)：
  • 2-ベンゾイル-3,5-ジヒドロキシ-4-[[(1S,2R,5R)-2-ヒドロキシ-2-メチル-5-イソプロペニルシクロペンチル]メチル]-6,6-ビス(3-メチル-2-ブテニル)-2,4-シクロヘキサジエン-1-オン
  • 2-ベンゾイル-3,5-ジヒドロキシ-4-{[(1S,2R,5R)-2-ヒドロキシ-2-メチル-5-(プロパ-1-エン-2-イル)シクロペンチル]メチル}-6,6-ビス(3-メチルブタ-2-エン-1-イル)シクロヘキサ-2,4-ジエン-1-オン
  • 2-benzoyl-3,5-dihydroxy-4-{[(1S,2R,5R)-2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-6,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
Other name (1)：
  • 2-Benzoyl-3,5-dihydroxy-4-[[(1S,2R,5R)-2-hydroxy-2-methyl-5-isopropenylcyclopentyl]methyl]-6,6-bis(3-methyl-2-butenyl)-2,4-cyclohexadiene-1-one
Thsaurus map：
Thesaurus Map

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