Chem
J-GLOBAL ID：200907096547004814   Nikkaji number：J1.012.383F

CP-412065

(4R,9R,12R,13S,15S,18S,19S,20R,21R,22R)-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-1,5,7-トリエン-18,19,20,22-テトラオール
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： 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/h5,7-8,12,15,17-21,26-29H,6,9-11H2,1-4H3/t15-,17-,18-,19+,20?,21+,22+,23-,24+,25-/m1/s1
InChI key： IFVVQPINBOCQHT-XJRBUDKSSA-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@H](O)[C@]56O)[C@]3(C)CC[C@]2(C)C=C1
Systematic name  (3)：
  • (1R,2S,4S,7S,8R,9E,12R,14R,20R,21R,22S)-1,14-ジメチル-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]プロペン[1]イル[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-7,8,21,22-テトラオール
  • (4R,9R,12R,13S,15S,18S,19S,20R,21R,22R)-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-1,5,7-トリエン-18,19,20,22-テトラオール
  • (4R,9R,12R,13S,15S,18S,19S,20R,21R,22R)-9,12-dimethyl-6-(propan-2-yl)-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5,7-triene-18,19,20,22-tetrol
Other name (2)：
  • (1R,2S,4S,7S,8R,9E,12R,14R,20R,21R,22S)-1,14-Dimethyl-19-isopropyl-7,4,2,9-[1,2]propanediyl[3]ylidene-14,13-[1]propene[1]yl[3]ylidene-3,5-dioxabicyclo[10.4.0]hexadec-9-ene-7,8,21,22-tetrol
  • CP-412065
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