Chem
J-GLOBAL ID:200907060885291409
Nikkaji number:J452.042D
ML-236B sodium
ML-236Bナトリウム
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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:
C23 H35 NaO6
Molecular formula furigana:
C23-H35-NA-O6
Molecular weight:
430.517
InChI:
InChI=1S/C23H36O6.Na/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27;/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27);/q;+1/p-1/t14-,15-,17+,18+,19-,20-,22-;/m0./s1
InChI key:
HSOJKEMXKOVVOH-AGNATJBLSA-M
SMILES:
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O[Na])[C@@H]12
Systematic name (4):
(3R,5R)-7-[[(1S)-1,2,6,7,8,8aβ-ヘキサヒドロ-2β-メチル-8α-[(S)-2-メチルブタノイルオキシ]ナフタレン]-1β-イル]-3,5-ジヒドロキシヘプタン酸ナトリウム
(3R,5R)-3,5-ジヒドロキシ-7-[(1S,2S,8S,8aR)-2-メチル-8-[[(S)-2-メチルブタノイル]オキシ]-1,2,6,7,8,8a-ヘキサヒドロナフタレン-1-イル]ヘプタン酸ナトリウム
ナトリウム (3R,5R)-7-[(1S,2S,8S,8aR)-2-メチル-8-{[(2S)-2-メチルブタノイル]オキシ}-1,2,6,7,8,8a-ヘキサヒドロナフタレン-1-イル]-3,5-ジヒドロキシヘプタノアート
sodium (3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Other name (5):
ML-236Bナトリウム
ML-236B sodium
(3R,5R)-7-[[(1S)-1,2,6,7,8,8aβ-Hexahydro-2β-methyl-8α-[(S)-2-methylbutanoyloxy]naphthalen]-1β-yl]-3,5-dihydroxyheptanoic acid sodium salt
(3R,5R)-3,5-Dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-[[(S)-2-methylbutanoyl]oxy]-1,2,6,7,8,8a-hexahydronaphthalene-1-yl]heptanoic acid sodium salt
(3R,5R)-3,5-ジヒドロキシ-7-[(1S,2S,8S,8aR)-2-メチル-8-((S)-2-メチルブタノイルオキシ)-1,2,6,7,8,8a-ヘキサヒドロナフタレン-1-イル]ヘプタン酸=ナトリウム塩
Regulation number (1):
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