Gymnemic acid II
基本情報
- CAS
122144-48-3- 標準SMILES
CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C- InChIKey
IWLKKMZNFBKYCF-GAZXINLWSA-N- 分子式
- C43H68O14
- 平均分子量
- 809 g/mol
- 単同位体質量
- 808.46090684
概要
gymnemic acid II has been reported in Gymnema sylvestre with data available.
名称と識別子
- 優先名称
- Gymnemic acid II
- IUPAC
- (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2S)-2-methylbutanoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
名称と別名
Gymnemic acid II(+)-Gymnemic acid IIGymnemic acid ii, (+)-UNII-CUN60G2ITSCUN60G2ITS122144-48-3beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-28-(acetyloxy)-16,22,23-trihydroxy-21-((2S)-2-methyl-1-oxobutoxy)olean-12-en-3-ylGYMNEMIC ACID II (CONSTITUENT OF GYMNEMA) [DSC].BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-28-(ACETYLOXY)-16,22,23-TRIHYDROXY-21-((2S)-2-METHYL-1-OXOBUTOXY)OLEAN-12-EN-3-YLGymnemate II(2S,3S,4S,5R,6R)-6-(((3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-((2S)-2-methylbutanoyl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2S)-2-methylbutanoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
名称をさらに表示
RefChem:144867GYMNEMIC ACID II (CONSTITUENT OF GYMNEMA)LMPR0106150072Q27275803(3beta,4alpha,16beta,21beta,22alpha)-28-acetoxy-16,22,23-trihydroxy-21-((2S)-2-methyl-1-oxobutoxy)olean-12-en-3-yl-beta D-glucopyranosiduronic acid
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 230 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 14
- 回転可能結合数
- 11
- 重原子数
- 57
- 形式電荷
- 0
- 複雑度
- 1,600
実験および物理化学的性質
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C30 isoprenoids (triterpenes) [PR0106]
関連反応
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化合物ノート
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