Chem
J-GLOBAL ID：200907085810907180   Nikkaji number：J604.239B

Bryostatin 16

ブリオスタチン16
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： C42H62O14
Molecular formula furigana： C42-H62-O14
Molecular weight： 790.944
InChI： InChI=1S/C42H62O14/c1-24(43)32-21-29-14-26(18-36(46)51-10)16-33(53-29)40(5,6)12-11-28-13-25(17-35(45)50-9)15-31(52-28)23-42(49)41(7,8)34(55-38(48)39(2,3)4)22-30(56-42)19-27(44)20-37(47)54-32/h11-12,16-18,24,27-32,34,43-44,49H,13-15,19-23H2,1-10H3/b12-11-,25-17+,26-18+/t24-,27-,28+,29+,30-,31+,32-,34+,42+/m1/s1
InChI key： QMDQQCXRPALIRV-DIUVTNMWSA-N
SMILES： COC(=O)/C=C\1/C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C/C(=C\C(=O)OC)/C=C(O3)C(C)(C)/C=C\[C@@H](C1)O2)[C@@H](C)O
Systematic name  (3)：
  • 7-O-デアセチル-19-デオキシ-20-デ[(1-オキソ-2,4-オクタジエニル)オキシ]-7-O-(2,2-ジメチルプロパノイル)-19,20-ジデヒドロブリオスタチン1
  • (1S,3S,5Z,7R,8Z,13E,15S,17R,21R,23R,25S)-1,21-ジヒドロキシ-17-[(1R)-1-ヒドロキシエチル]-5,13-ビス(2-メトキシ-2-オキソエチリデン)-10,10,26,26-テトラメチル-19-オキソ-18,27,28,29-テトラオキサテトラシクロ[21.3.1.13,7.111,15]ノナコサ-8,11-ジエン-25-イル 2,2-ジメチルプロパノアート
  • (1S,3S,5Z,7R,8Z,13E,15S,17R,21R,23R,25S)-1,21-dihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacosa-8,11-dien-25-yl 2,2-dimethylpropanoate
Other name (3)：
  • 7-O-Deacetyl-19-deoxy-20-de[(1-oxo-2,4-octadienyl)oxy]-7-O-(2,2-dimethylpropanoyl)-19,20-didehydrobryostatin 1
  • ブリオスタチン16
  • Bryostatin 16
CAS registry number： 173075-49-5
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