Chem
J-GLOBAL ID：202307001834132717
Nikkaji number：J3.791.432K
(2S,3Z)-4-{[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(5S,6R,7R)-6-ヒドロキシ-1,8-ジオキサスピロ[4.5]デカン-7-イル]-3-メチルペンタ-2,4-ジエン-1-イル]-2,5-ジメチルオキサン-3-イル]カルバモイル}ブタ-3-エン-2-イルアセタート
(2S,3Z)-4-{[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(5S,6R,7R)-6-ヒドロキシ-1,8-ジオキサスピロ[4.5]デカン-7-イル]-3-メチルペンタ-2,4-ジエン-1-イル]-2,5-ジメチルオキサン-3-イル]カルバモイル}ブタ-3-エン-2-イルアセタート
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
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
Molecular formula： C28H43NO7
Molecular formula furigana： C28-H43-N-O7
Molecular weight： 505.652
InChI：
InChI=1S/C28H43NO7/c1-18(8-11-25-27(32)28(14-16-33-25)13-6-15-34-28)7-10-24-19(2)17-23(21(4)36-24)29-26(31)12-9-20(3)35-22(5)30/h7-9,11-12,19-21,23-25,27,32H,6,10,13-17H2,1-5H3,(H,29,31)/b11-8+,12-9-,18-7+/t19-,20-,21+,23+,24-,25+,27+,28-/m0/s1
InChI key：
PIFOJJWLZMQMKY-TYZPUVNSSA-N
SMILES：
O1[C@@H]([C@@H](C[C@@H]([C@@H]1C/C=C(/C=C/[C@H]1OCC[C@@]2([C@@H]1O)OCCC2)\C)C)NC(=O)/C=C\[C@H](C)OC(=O)C)C
Systematic name (2)：
- (2S,3Z)-4-{[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(5S,6R,7R)-6-ヒドロキシ-1,8-ジオキサスピロ[4.5]デカン-7-イル]-3-メチルペンタ-2,4-ジエン-1-イル]-2,5-ジメチルオキサン-3-イル]カルバモイル}ブタ-3-エン-2-イルアセタート
- (2S,3Z)-4-{[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(5S,6R,7R)-6-hydroxy-1,8-dioxaspiro[4.5]decan-7-yl]-3-methylpenta-2,4-dien-1-yl]-2,5-dimethyloxan-3-yl]carbamoyl}but-3-en-2-yl acetate
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