Chem
J-GLOBAL ID：200907086079948448   Nikkaji number：J2.157.038I

(3E,5E,8S,14R,16R,17E,19E,24R)-8-(1-Methoxy-1-methylethyl)-9,13-methylidyne-14,16-(isopropylidenedioxy)-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexene-2-one

(3E,5E,8S,14R,16R,17E,19E,24R)-8-(1-メトキシ-1-メチルエチル)-9,13-メチリジン-14,16-(イソプロピリデンジオキシ)-24-メチル-1-オキサシクロテトラコサ-3,5,9,11,17,19-ヘキサエン-2-オン
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： C32H44O5
Molecular formula furigana： C32-H44-O5
Molecular weight： 508.699
InChI： InChI=1S/C32H44O5/c1-24-16-11-8-7-9-12-19-27-23-29(37-32(4,5)36-27)26-18-15-17-25(22-26)28(31(2,3)34-6)20-13-10-14-21-30(33)35-24/h7,9-10,12-15,17-19,21-22,24,27-29H,8,11,16,20,23H2,1-6H3/b9-7+,13-10+,19-12+,21-14+/t24-,27+,28+,29-/m1/s1
InChI key： KWKLZULXKZKEEV-LSEOGGKUSA-N
SMILES： COC(C)(C)[C@H]1C/C=C/C=C/C(=O)O[C@H](C)CCC/C=C/C=C/[C@H]2C[C@@H](OC(C)(C)O2)c2cccc1c2
Systematic name  (3)：
  • (3E,5E,8S,14R,16R,17E,19E,24R)-8-(1-メトキシ-1-メチルエチル)-9,13-メチリジン-14,16-(イソプロピリデンジオキシ)-24-メチル-1-オキサシクロテトラコサ-3,5,9,11,17,19-ヘキサエン-2-オン
  • (2R,6R,7E,9E,14R,17E,19E,22S)-22-(2-メトキシプロパン-2-イル)-4,4,14-トリメチル-3,5,15-トリオキサトリシクロ[21.3.1.12,6]オクタコサ-1(26),7,9,17,19,23(27),24-ヘプタエン-16-オン
  • (2R,6R,7E,9E,14R,17E,19E,22S)-22-(2-methoxypropan-2-yl)-4,4,14-trimethyl-3,5,15-trioxatricyclo[21.3.1.12,6]octacosa-1(26),7,9,17,19,23(27),24-heptaen-16-one
Other name (1)：
  • (3E,5E,8S,14R,16R,17E,19E,24R)-8-(1-Methoxy-1-methylethyl)-9,13-methylidyne-14,16-(isopropylidenedioxy)-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexene-2-one
Thsaurus map：
Thesaurus Map

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