Chem
J-GLOBAL ID：200907076640235213   Nikkaji number：J2.036.433E

Halstoctacosanolide A

ハルストオクタコサノリドA
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： C48H76O12
Molecular formula furigana： C48-H76-O12
Molecular weight： 845.124
InChI： InChI=1S/C48H76O12/c1-11-38(49)36(10)41(52)26-43(54)42(53)23-29(3)22-32(6)45-27-40(51)31(5)16-14-12-13-15-30(4)39(50)25-37-18-17-35(9)48(58,60-37)20-19-28(2)21-33(7)46(56)44(55)24-34(8)47(57)59-45/h12-14,16,19,21,23-24,30-32,35-38,40-43,45-46,49,51-54,56,58H,11,15,17-18,20,22,25-27H2,1-10H3/b13-12+,16-14+,28-19+,29-23+,33-21+,34-24+
InChI key： GQHNSYURZJAIPC-DEKRUJGOSA-N
SMILES： CCC(O)C(C)C(O)CC(O)C(O)/C=C(\C)/CC(C)C1CC(O)C(C)/C=C/C=C/CC(C)C(=O)CC2CCC(C)C(O)(C/C=C(\C)/C=C(\C)/C(O)C(=O)/C=C(\C)/C(=O)O1)O2
Systematic name  (3)：
  • (3E,7E,9E,21E,23E)-3,7,9,13,19,25-ヘキサメチル-6,12,26-トリヒドロキシ-12,16-エポキシ-28-[(3E)-1,3,9-トリメチル-5,6,8,10-テトラヒドロキシ-3-ドデセニル]-1-オキサシクロオクタコサン-3,7,9,21,23-ペンタエン-2,5,18-トリオン
  • (3E,5E,9E,17E,19E)-1,7,15-トリヒドロキシ-4,6,10,16,22,28-ヘキサメチル-13-[(4E)-6,7,9,11-テトラヒドロキシ-4,10-ジメチルトリデカ-4-エン-2-イル]-12,29-ジオキサビシクロ[23.3.1]ノナコサ-3,5,9,17,19-ペンタエン-8,11,23-トリオン
  • (3E,5E,9E,17E,19E)-1,7,15-trihydroxy-4,6,10,16,22,28-hexamethyl-13-[(4E)-6,7,9,11-tetrahydroxy-4,10-dimethyltridec-4-en-2-yl]-12,29-dioxabicyclo[23.3.1]nonacosa-3,5,9,17,19-pentaene-8,11,23-trione
Other name (3)：
  • (3E,7E,9E,21E,23E)-3,7,9,13,19,25-Hexamethyl-6,12,26-trihydroxy-12,16-epoxy-28-[(3E)-1,3,9-trimethyl-5,6,8,10-tetrahydroxy-3-dodecenyl]-1-oxacyclooctacosane-3,7,9,21,23-pentene-2,5,18-trione
  • ハルストオクタコサノリドA
  • Halstoctacosanolide A
KEGG COMPOUND： C15766
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