Chem
J-GLOBAL ID:200907002944907036
Nikkaji number:J1.697.780B
(2S,5S,7R,8R)-2-[(2S)-2-(Benzoyloxy)-6-heptenyl]-7-[(1R,3Z)-1,6-bis(benzoyloxy)-3-hexenyl]-8-methyl-1,6-dioxaspiro[4.5]decane
(2S,5S,7R,8R)-2-[(2S)-2-(ベンゾイルオキシ)-6-ヘプテニル]-7-[(1R,3Z)-1,6-ビス(ベンゾイルオキシ)-3-ヘキセニル]-8-メチル-1,6-ジオキサスピロ[4.5]デカン
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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:
C43 H50 O8
Molecular formula furigana:
C43-H50-O8
Molecular weight:
694.865
InChI:
InChI=1S/C43H50O8/c1-3-4-9-24-36(48-41(45)34-20-12-6-13-21-34)31-37-27-29-43(50-37)28-26-32(2)39(51-43)38(49-42(46)35-22-14-7-15-23-35)25-16-8-17-30-47-40(44)33-18-10-5-11-19-33/h3,5-8,10-16,18-23,32,36-39H,1,4,9,17,24-31H2,2H3/b16-8-/t32-,36+,37+,38-,39-,43+/m1/s1
InChI key:
QAWWJWYOONFOSF-VAQXGCSUSA-N
SMILES:
C[C@@H]1CC[C@@]2(CC[C@@H](C[C@H](CCCC=C)OC(=O)c3ccccc3)O2)O[C@H]1[C@@H](C/C=C\CCOC(=O)c1ccccc1)OC(=O)c1ccccc1
Systematic name (3):
(2S,5S,7R,8R)-2-[(2S)-2-(ベンゾイルオキシ)-6-ヘプテニル]-7-[(1R,3Z)-1,6-ビス(ベンゾイルオキシ)-3-ヘキセニル]-8-メチル-1,6-ジオキサスピロ[4.5]デカン
(2S)-1-[(2S,5S,7R,8R)-7-[(1R,3Z)-1,6-ビス[(Z)-ベンゾイルオキシ]ヘキサ-3-エン-1-イル]-8-メチル-1,6-ジオキサスピロ[4.5]デカン-2-イル]ヘプタ-6-エン-2-イル ベンゾアート
(2S)-1-[(2S,5S,7R,8R)-7-[(1R,3Z)-1,6-bis[(Z)-benzoyloxy]hex-3-en-1-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-2-yl]hept-6-en-2-yl benzoate
Other name (1):
(2S,5S,7R,8R)-2-[(2S)-2-(Benzoyloxy)-6-heptenyl]-7-[(1R,3Z)-1,6-bis(benzoyloxy)-3-hexenyl]-8-methyl-1,6-dioxaspiro[4.5]decane
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