Chem
J-GLOBAL ID:200907025758022202   Nikkaji number:J1.275.444B

Wilfordinine A

ウィルホルジニン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: C36H45NO17
Molecular formula furigana: C36-H45-N-O17
Molecular weight: 763.746
InChI: InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)24-27(50-19(5)40)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15-,16-,24+,25-,26+,27?,28-,29-,30+,33-,34-,35-,36-/m0/s1
InChI key: NZJBHDRNBSDTHF-XVOVMMEESA-N
SMILES: C[C@H]1[C@H](C)C(=O)O[C@H]2[C@H](O)[C@H](OC(=O)C)[C@@]3(COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]4[C@@H](OC(=O)C)[C@]3(O[C@@]4(C)COC(=O)c3cnccc13)[C@@]2(C)O
Systematic name  (3):
  • (1S,4S,5S,15R,16R,17R,18S,19S,20R,21R,22S,23S,24R)-4,5,15,22-テトラメチル-3,12-ジオキソ-19-(アセトキシメチル)-15,23-エポキシ-2,13-ジオキサ-9-アザテトラシクロ[14.5.3.06,11.019,23]テトラコサン-6,8,10-トリエン-17,18,20,21,22,24-ヘキサオール17,18,20,24-テトラアセタート
  • [(1S,3R,13S,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-19,21,22,24-テトラキス(アセチルオキシ)-18,25-ジヒドロキシ-3,13,14,25-テトラメチル-6,15-ジオキソ-2,5,16-トリオキサ-9-アザペンタシクロ[15.7.1.01,20.03,23.07,12]ペンタコサ-7,9,11-トリエン-20-イル]メチル アセタート
  • [(1S,3R,13S,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-19,21,22,24-tetrakis(acetyloxy)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7,9,11-trien-20-yl]methyl acetate
Other name (3):
  • ウィルホルジニンA
  • Wilfordinine A
  • (1S,4S,5S,15R,16R,17R,18S,19S,20R,21R,22S,23S,24R)-4,5,15,22-Tetramethyl-3,12-dioxo-19-(acetoxymethyl)-15,23-epoxy-2,13-dioxa-9-azatetracyclo[14.5.3.06,11.019,23]tetracosane-6,8,10-triene-17,18,20,21,22,24-hexaol 17,18,20,24-tetraacetate
CAS registry number: 262599-02-0
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