Chem
J-GLOBAL ID：200907044735702030   Nikkaji number：J1.708.023G

Dehydrotheasinensin

デヒドロテアシネンシン
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： C30H24O14
Molecular formula furigana： C30-H24-O14
Molecular weight： 608.508
InChI： InChI=1S/C30H24O14/c31-9-1-14(33)11-5-17(36)25(41-18(11)3-9)13-6-16(35)23(37)26-21(13)22-24(38)27(39)30(40)8-29(22,44-26)28-20(43-30)7-12-15(34)2-10(32)4-19(12)42-28/h1-4,6,17,20,25,28,31-38,40H,5,7-8H2/t17-,20+,25-,28+,29+,30+/m1/s1
InChI key： ZHLKKFCEJNDABS-DGWRHOBDSA-N
SMILES： O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c2O[C@]34C[C@](O)(O[C@H]5Cc6c(O)cc(O)cc6O[C@H]35)C(=O)C(=C4c12)O
Systematic name  (3)：
  • (5aS,7S,14aS,14bS)-10-[(2R,3R)-3,4-ジヒドロ-3,5,7-トリヒドロキシ-2H-1-ベンゾピラン-2-イル]-5a,14b-ジヒドロ-2,4,7,9,12,13-ヘキサヒドロキシ-5H-7,14a-メタノベンゾフロ[2′,3′:4,5]オキソシノ[3,2-b][1]ベンゾピラン-8(7H)-オン
  • (1S,2S,11S,13S)-6,8,13,15,20,21-ヘキサヒドロキシ-18-[(2R,3R)-3,5,7-トリヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-3,12,23-トリオキサヘキサシクロ[11.10.1.01,16.02,11.04,9.017,22]テトラコサ-4,6,8,15,17(22),18,20-ヘプタエン-14-オン
  • (1S,2S,11S,13S)-6,8,13,15,20,21-hexahydroxy-18-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-3,12,23-trioxahexacyclo[11.10.1.01,16.02,11.04,9.017,22]tetracosa-4,6,8,15,17(22),18,20-heptaen-14-one
Other name (5)：
  • (5aS,7S,14aS,14bS)-10-[(2R,3R)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-5a,14b-dihydro-2,4,7,9,12,13-hexahydroxy-5H-7,14a-methanobenzofuro[2′,3′:4,5]oxocino[3,2-b][1]benzopyran-8(7H)-one
  • デヒドロテアシネンシン
  • Dehydrotheasinensin
  • デヒドロテアシネンシンE
  • Dehydrotheasinensin E
CAS registry number： 416864-72-7
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