Chem
J-GLOBAL ID：200907003997913182   Nikkaji number：J2.456.099F

Phorbaside A

ホルバシド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： C33H49ClO10
Molecular formula furigana： C33-H49-CL-O10
Molecular weight： 641.200
InChI： InChI=1S/C33H49ClO10/c1-17-13-23(12-10-9-11-22-15-24(22)34)42-30(36)20(4)33(38)16-26(19(3)27(44-33)18(2)25(14-17)39-7)43-31-29(40-8)32(6,37)28(35)21(5)41-31/h10,12,14,18-29,31,35,37-38H,13,15-16H2,1-8H3/b12-10+,17-14+/t18-,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,31+,32-,33+/m1/s1
InChI key： MKNAVIHSEYFVQO-UKSFWMFISA-N
SMILES： CO[C@H]1[C@H](O[C@H]2C[C@]3(O)O[C@H]([C@@H]2C)[C@H](C)[C@H](OC)/C=C(\C)/C[C@@H](OC(=O)[C@H]3C)/C=C/C#C[C@H]2C[C@@H]2Cl)O[C@@H](C)[C@H](O)[C@@]1(C)O
Systematic name  (3)：
  • (1S,7E,11α)-1β-ヒドロキシ-5β-[(1E)-4-[(1R)-2β-クロロシクロプロパン-1α-イル]-1-ブテン-3-イニル]-2α,7,10β,12α-テトラメチル-9β-メトキシ-13β-(2-O,3-ジメチル-α-L-ラムノピラノシルオキシ)-4,15-ジオキサビシクロ[9.3.1]ペンタデカ-7-エン-3-オン
  • (1S,2S,5R,7E,9R,10R,11R,12R,13S)-5-[(1E)-4-[(1R,2S)-2-クロロシクロプロピル]ブタ-1-エン-3-イン-1-イル]-13-{[(2R,3R,4R,5S,6S)-4,5-ジヒドロキシ-3-メトキシ-4,6-ジメチルオキサン-2-イル]オキシ}-1-ヒドロキシ-9-メトキシ-2,7,10,12-テトラメチル-4,15-ジオキサビシクロ[9.3.1]ペンタデカ-7-エン-3-オン
  • (1S,2S,5R,7E,9R,10R,11R,12R,13S)-5-[(1E)-4-[(1R,2S)-2-chlorocyclopropyl]but-1-en-3-yn-1-yl]-13-{[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl]oxy}-1-hydroxy-9-methoxy-2,7,10,12-tetramethyl-4,15-dioxabicyclo[9.3.1]pentadec-7-en-3-one
Other name (3)：
  • (1S,7E,11α)-1β-Hydroxy-5β-[(1E)-4-[(1R)-2β-chlorocyclopropane-1α-yl]-1-butene-3-ynyl]-2α,7,10β,12α-tetramethyl-9β-methoxy-13β-(2-O,3-dimethyl-α-L-rhamnopyranosyloxy)-4,15-dioxabicyclo[9.3.1]pentadeca-7-ene-3-one
  • ホルバシドA
  • Phorbaside A
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM