Chem
J-GLOBAL ID:200907053740256790
Nikkaji number:J615.038A
Yunnanxane
ユンナンキサン
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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:
C31 H46 O9
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):
CAS registry number:
139713-81-8
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