Chem
J-GLOBAL ID：200907090615414645   Nikkaji number：J441.143I

Penitrem E

ペニトレムE
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： C37H45NO6
Molecular formula furigana： C37-H45-N-O6
Molecular weight： 599.768
InChI： InChI=1S/C37H45NO6/c1-16(2)28-27(39)31-37(44-31)23(42-28)11-12-33(6)34(7)19(10-13-35(33,37)40)29-25-24-21(38-30(25)34)9-8-18-14-17(3)20-15-22(32(4,5)43-29)36(20,41)26(18)24/h8-9,19-20,22-23,27-29,31,38-41H,1,3,10-15H2,2,4-7H3/t19-,20+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1
InChI key： LTCFBVUSILPMGG-BRSLXYMHSA-N
SMILES： CC(=C)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)[C@@H](CC[C@@]3(O)[C@@]32O[C@@H]3[C@H]1O)[C@@H]1OC(C)(C)[C@H]2C[C@@H]3C(=C)Cc5ccc6[nH]c4c1c6c5[C@]23O
Systematic name  (3)：
  • 6-デクロロペニトレムA
  • (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-15,16,33,33-テトラメチル-24-メチリデン-10-(プロパ-1-エン-2-イル)-7,11,32-トリオキサ-18-アザデカシクロ[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]トリトリアコンタ-17(31),19,21,29-テトラエン-5,9,28-トリオール
  • (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-15,16,33,33-tetramethyl-24-methylidene-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol
Other name (5)：
  • ペニトレムE
  • Penitrem E
  • 6-Dechloropenitrem A
  • デクロロペニトレムA
  • Dechloropenitrem A
CAS registry number： 78213-66-8
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM