Chem
J-GLOBAL ID：200907084276860029   Nikkaji number：J1.012.382H

CJ-15544

(4R,9R,12R,13S,15S,18S,20S,21R,22R)-18,20,22-トリヒドロキシ-9,12-ジメチル-6-(プロパン-2-イル)-14,16-ジオキサヘキサシクロ[16.3.1.04,12.05,9.013,21.015,20]ドコサ-1,5-ジエン-19-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： C25H34O6
Molecular formula furigana： C25-H34-O6
Molecular weight： 430.541
InChI： InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-19,21,26,28-29H,6-11H2,1-4H3/t15-,17-,18-,19+,21+,22-,23-,24+,25-/m1/s1
InChI key： YHVXQLPNJVSDTP-MKRSTOQESA-N
SMILES： CC(C)C1=C2[C@H]3CC=C4[C@@H]5[C@H](O[C@@H]6OC[C@](O)([C@@H]4O)C(=O)[C@]56O)[C@]3(C)CC[C@@]2(C)CC1
Systematic name  (3)：
  • (1R,2S,4S,7S,8R,9E,12R,14R,20R,21S)-1,14-ジメチル-7,8,21-トリヒドロキシ-19-イソプロピル-7,4,2,9-[1,2]プロパンジイル[3]イリデン-14,13-[1]プロパニル[3]イリデン-3,5-ジオキサビシクロ[10.4.0]ヘキサデカ-9-エン-22-オン
  • (4R,9R,12R,13S,15S,18S,20S,21R,22R)-18,20,22-トリヒドロキシ-9,12-ジメチル-6-(プロパン-2-イル)-14,16-ジオキサヘキサシクロ[16.3.1.04,12.05,9.013,21.015,20]ドコサ-1,5-ジエン-19-オン
  • (4R,9R,12R,13S,15S,18S,20S,21R,22R)-18,20,22-trihydroxy-9,12-dimethyl-6-(propan-2-yl)-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-dien-19-one
Other name (2)：
  • (1R,2S,4S,7S,8R,9E,12R,14R,20R,21S)-1,14-Dimethyl-7,8,21-trihydroxy-19-isopropyl-7,4,2,9-[1,2]propanediyl[3]ylidene-14,13-[1]propanyl[3]ylidene-3,5-dioxabicyclo[10.4.0]hexadec-9-en-22-one
  • CJ-15544
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