基本情報
- CAS
20045-26-5- 標準SMILES
CC1O[C@@H](O[C@H]2CC[C@]3(CO)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)CC2OC(C)(C)O[C@H]12- InChIKey
ODZGQIFPCJZJHC-LRFAISFCSA-N- 分子式
- C32H48O9
- 平均分子量
- 576.7 g/mol
- 単同位体質量
- 576.3298331
名称と識別子
- 優先名称
- 3-((2,6-Dideoxy-3,4-O-(1-methylethylidene)hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide
- IUPAC
- 3-[(3S,5S,10R,13R,14S,17R)-3-[[(3aR,6R)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
名称と別名
DTXSID009420573-((2,6-Dideoxy-3,4-O-(1-methylethylidene)hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide3-{[2,6-Dideoxy-3,4-O-(1-methylethylidene)hexopyranosyl]oxy}-5,14,19-trihydroxycard-20(22)-enolideRefChem:1066269DTXCID501370475Helveticosol acetonide20045-26-5AcetonhelveticosolAcetonhelveticosol [German]DimethylketonhelveticosolDimethylketonhelveticosol [German]FG 79
名称をさらに表示
EINECS 243-481-45-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(1-methylethylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-Card-20(22)-enolide, 3-((2,6-dideoxy-3,4-O-(1-methylethylidene)-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, (3beta,5beta)-3beta-((2,6-Dideoxy-3,4-O-isopropylidene-beta-D -ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-5beta-card-20(22)-enolide(8xi,9xi)-3beta-{[2,6-Dideoxy-3,4-O-(1-methylethylidene)-beta-D-glycero-hexopyranosyl]oxy}-5,14,19-trihydroxy-5beta-card-20(22)-enolide
データベース識別子
- CAS
20045-26-5- PubChem CID
- 29922
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 124 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 9
- 回転可能結合数
- 4
- 重原子数
- 41
- 形式電荷
- 0
- 複雑度
- 1,110
関連反応
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