Chem
J-GLOBAL ID:200907073757255178
Nikkaji number:J930.224G
3-[(13S)-3,4,13-Trihydroxy-13-[[(2S,2′S,5S,5′S)-octahydro-5′-[(1S)-1-hydroxyundecyl]-2,2′-bifuran]-5-yl]tridecyl]-5-methylfuran-2(5H)-one
3-[(13S)-3,4,13-トリヒドロキシ-13-[[(2S,2′S,5S,5′S)-オクタヒドロ-5′-[(1S)-1-ヒドロキシウンデシル]-2,2′-ビフラン]-5-イル]トリデシル]-5-メチルフラン-2(5H)-オン
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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:
C37 H66 O8
Molecular formula furigana:
C37-H66-O8
Molecular weight:
638.927
InChI:
InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(40)33-22-24-35(44-33)36-25-23-34(45-36)32(41)19-16-13-10-9-11-14-17-29(38)30(39)21-20-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27?,29?,30?,31-,32-,33-,34-,35-,36-/m0/s1
InChI key:
FIAFDZONZBZQPE-DAWRIBNWSA-N
SMILES:
CCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCCCCCC(O)C(O)CCC1=CC(C)OC1=O
Systematic name (3):
3-[(13S)-3,4,13-トリヒドロキシ-13-[[(2S,2′S,5S,5′S)-オクタヒドロ-5′-[(1S)-1-ヒドロキシウンデシル]-2,2′-ビフラン]-5-イル]トリデシル]-5-メチルフラン-2(5H)-オン
5-メチル-3-[(13S)-3,4,13-トリヒドロキシ-13-[(2S,2'S,5S,5'S)-5'-[(1S)-1-ヒドロキシウンデシル]-[2,2'-ビオキソラン]-5-イル]トリデシル]-2,5-ジヒドロフラン-2-オン
5-methyl-3-[(13S)-3,4,13-trihydroxy-13-[(2S,2'S,5S,5'S)-5'-[(1S)-1-hydroxyundecyl]-[2,2'-bioxolan]-5-yl]tridecyl]-2,5-dihydrofuran-2-one
Other name (1):
3-[(13S)-3,4,13-Trihydroxy-13-[[(2S,2′S,5S,5′S)-octahydro-5′-[(1S)-1-hydroxyundecyl]-2,2′-bifuran]-5-yl]tridecyl]-5-methylfuran-2(5H)-one
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