Chem
J-GLOBAL ID：201407043146004106   Nikkaji number：J3.327.826H

(8β,10β,14α)-1α-(3-Phenylpropanoyloxy)-5α,11α,16-trihydroxy-11,12-seco-11,13-cyclocassane-15-ene-12-oic acid γ-lactone

(8β,10β,14α)-1α-(3-フェニルプロパノイルオキシ)-5α,11α,16-トリヒドロキシ-11,12-セコ-11,13-シクロカッサン-15-エン-12-酸γ-ラクトン
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： C29H38O6
Molecular formula furigana： C29-H38-O6
Molecular weight： 482.617
InChI： InChI=1S/C29H38O6/c1-18-20-12-15-29(33)26(2,3)14-13-21(35-22(30)11-10-19-8-6-5-7-9-19)27(29,4)23(20)24(31)28(18)16-17-34-25(28)32/h5-9,16-18,20-21,23-24,31,33H,10-15H2,1-4H3/t18-,20+,21+,23-,24+,27-,28-,29-/m1/s1
InChI key： GGPTWHWJVZYIGI-JIPQFRFBSA-N
SMILES： C[C@@H]1[C@@H]2CC[C@@]3(O)C(C)(C)CC[C@H](OC(=O)CCc4ccccc4)[C@]3(C)[C@H]2[C@H](O)[C@]21C=COC2=O
Systematic name  (3)：
  • (8β,10β,14α)-1α-(3-フェニルプロパノイルオキシ)-5α,11α,16-トリヒドロキシ-11,12-セコ-11,13-シクロカッサン-15-エン-12-酸γ-ラクトン
  • (1S,2S,3R,3aS,5aR,9S,9aS,9bS)-1,5a-ジヒドロキシ-3,6,6,9a-テトラメチル-2'-オキソ-1,3,3a,4,5,5a,6,7,8,9,9a,9b-ドデカヒドロ-2'H-スピロ[シクロペンタ[a]ナフタレン-2,3'-フラン]-9-イル 3-フェニルプロパノアート
  • (1S,2S,3R,3aS,5aR,9S,9aS,9bS)-1,5a-dihydroxy-3,6,6,9a-tetramethyl-2'-oxo-1,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-2'H-spiro[cyclopenta[a]naphthalene-2,3'-furan]-9-yl 3-phenylpropanoate
Other name (1)：
  • (8β,10β,14α)-1α-(3-Phenylpropanoyloxy)-5α,11α,16-trihydroxy-11,12-seco-11,13-cyclocassane-15-ene-12-oic acid γ-lactone
Thsaurus map：
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