Chem
J-GLOBAL ID:200907068267326898
Nikkaji number:J55.458H
Locundiezide
ロクンジエジド
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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:
C29 H44 O10
Molecular formula furigana:
C29-H44-O10
Molecular weight:
552.661
InChI:
InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19+,21+,22-,23+,24+,25-,26+,27+,28-,29-/m0/s1
InChI key:
WRORFDCUNLGVJF-WGLBOFLQSA-N
SMILES:
C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O
Systematic name (3):
3β-[(6-デオキシ-α-L-マンノピラノシル)オキシ]-5,11α,14-トリヒドロキシ-5β-カルダ-20(22)-エノリド
4-[(1R,3aS,3bR,5aS,7S,9aR,9bS,10R,11aR)-3a,5a,10-トリヒドロキシ-9a,11a-ジメチル-7-{[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2,5-ジヒドロフラン-2-オン
4-[(1R,3aS,3bR,5aS,7S,9aR,9bS,10R,11aR)-3a,5a,10-trihydroxy-9a,11a-dimethyl-7-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Other name (7):
Locundiezide
ロクンジオシド
Locundioside
ロクンジエジド
ロクンジョシド
Lokundjoside
3β-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,11α,14-trihydroxy-5β-card-20(22)-enolide
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CAS registry number:
6869-51-8
Regulation number (1):
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