Chem
J-GLOBAL ID：200907009785425666   Nikkaji number：J696.079K

Toosendanin

トオセンダニン
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： C30H38O11
Molecular formula furigana： C30-H38-O11
Molecular weight： 574.623
InChI： InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-17(26(20,3)12-38-25(29)36)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17+,18+,19-,20+,21+,23+,24-,25+,26-,27+,28+,29+,30+/m0/s1
InChI key： YXBNKLFLODLJHL-QORRHIIDSA-N
SMILES： CC(=O)O[C@@H]1C[C@H](O)[C@]23[C@H](O)OC[C@@]1(C)[C@H]2C[C@@H](O)[C@]1(C)[C@H]3C(=O)[C@H](OC(=O)C)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)c1ccoc1
Systematic name  (3)：
  • [1S,3R,4R,5R,7R,8S,9R,10S,12R,13R,14S,15R,17S,21R]-2,3,5,6,7,9,16,17-オクタヒドロ-1,7,21-トリヒドロキシ-3,12-ビス(アセチルオキシ)-4,8,13-トリメチル-17-(3-フリル)-15H-14,15-エポキシ-4,10-(メタノキシメタノ)-1H-シクロペンタ[a]フェナントレン-11(12H)-オン
  • (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,18R,19S,21R)-21-(アセチルオキシ)-6-(フラン-3-イル)-12,18,19-トリヒドロキシ-5,11,15-トリメチル-3-オキソ-9,17-ジオキサヘキサシクロ[13.3.3.01,14.02,11.05,10.08,10]ヘンイコサン-4-イル アセタート
  • (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,18R,19S,21R)-21-(acetyloxy)-6-(furan-3-yl)-12,18,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-4-yl acetate
Other name (9)：
  • トオセンダニン
  • Toosendanin
  • [1S,3R,4R,5R,7R,8S,9R,10S,12R,13R,14S,15R,17S,21R]-2,3,5,6,7,9,16,17-Octahydro-1,7,21-trihydroxy-3,12-bis(acetyloxy)-4,8,13-trimethyl-17-(3-furyl)-15H-14,15-epoxy-4,10-(methanoxymethano)-1H-cyclopenta[a]phenanthren-11(12H)-one
  • 28-デアセチルセンダニン
  • 28-Deacetylsendanin
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CAS registry number： 58812-37-6
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