Chem
J-GLOBAL ID:200907053740256790   Nikkaji number:J615.038A

Yunnanxane

ユンナンキサン
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: C31H46O9
Molecular formula furigana: C31-H46-O9
Molecular weight: 562.700
InChI: InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16?,18?,22-,23-,24-,26-,27-,28-,31-/m0/s1
InChI key: FMPIEMVVEJGMCY-IRWPHOLZSA-N
SMILES: CC(O)C(C)C(=O)O[C@H]1CC(=C2[C@H](C[C@]3(C)CC[C@H](OC(=O)C)C(=C)[C@H]3[C@H](OC(=O)C)[C@H]1C2(C)C)OC(=O)C)C
Systematic name  (5):
  • タキサ-4(20),11-ジエン-2α,5α,10β,14β-テトラオール2,5,10-トリアセタート14-(2-メチル-3-ヒドロキシブタノアート)
  • 3-ヒドロキシ-2-メチルブタン酸2α,5α,10β-トリアセトキシタキサ-4(20),11-ジエン-14β-イル
  • タキサ-4(20),11-ジエン-2α,5α,10β,14β-テトラオール2,5,10-トリアセタート14-(2-メチル-3-ヒドロキシブチラート)
  • (1S,2S,3S,5S,8S,10S,14S)-2,5,10-トリス(アセチルオキシ)-8,12,15,15-テトラメチル-4-メチリデントリシクロ[9.3.1.03,8]ペンタデカ-11-エン-14-イル 3-ヒドロキシ-2-メチルブタノアート
  • (1S,2S,3S,5S,8S,10S,14S)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate
Other name (7):
  • ユンナンキサン
  • Yunnanxane
  • Taxa-4(20),11-diene-2α,5α,10β,14β-tetrol 2,5,10-triacetate 14-(2-methyl-3-hydroxybutanoate)
  • 3-Hydroxy-2-methylbutanoic acid 2α,5α,10β-triacetoxytaxa-4(20),11-diene-14β-yl ester
  • Taxa-4(20),11-diene-2α,5α,10β,14β-tetrol 2,5,10-triacetate 14-(2-methyl-3-hydroxybutyrate)
Show all
CAS registry number: 139713-81-8
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