Chem
J-GLOBAL ID：200907083181538018   Nikkaji number：J613.759H

FD-891

FD-891
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： C33H54O8
Molecular formula furigana： C33-H54-O8
Molecular weight： 578.787
InChI： InChI=1S/C33H54O8/c1-19-17-21(3)29(36)32-31(41-32)27(35)15-11-12-16-28(40-33(38)22(4)18-19)20(2)13-9-10-14-26(34)24(6)30(37)23(5)25(7)39-8/h9-12,17-18,20-21,23-32,34-37H,13-16H2,1-8H3/b10-9+,12-11+,19-17+,22-18+/t20-,21+,23+,24+,25-,26-,27+,28-,29-,30-,31-,32-/m0/s1
InChI key： CKRKOZRHOCFFNN-YKSIPOGZSA-N
SMILES： CO[C@@H](C)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)C/C=C/C[C@H](C)[C@@H]1C/C=C/C[C@@H](O)[C@@H]2O[C@H]2[C@@H](O)[C@H](C)/C=C(\C)/C=C(\C)/C(=O)O1
Systematic name  (4)：
  • (3E,5E,7R,8S,9S,10S,11R,13E,16S)-9,10-エポキシ-8,11-ジヒドロキシ-3,5,7-トリメチル-16-[(1S,3E,6S,7R,8R,9S,10S)-6,8-ジヒドロキシ-10-メトキシ-1,7,9-トリメチル-3-ウンデセニル]-1-オキサシクロヘキサデカ-3,5,13-トリエン-2-オン
  • (3E,5E,7R,8S,9S,10S,11R,13E,16S)-3,5,7-トリメチル-8,11-ジヒドロキシ-9,10-エポキシ-16-[(1S,3E,6S,7R,8R,9S,10S)-1,7,9-トリメチル-6,8-ジヒドロキシ-10-メトキシ-3-ウンデセニル]-1-オキサシクロヘキサデカ-3,5,13-トリエン-2-オン
  • (1S,2R,4E,7S,10E,12E,14R,15S,16S)-7-[(2S,4E,7S,8R,9R,10S,11S)-7,9-ジヒドロキシ-11-メトキシ-8,10-ジメチルドデカ-4-エン-2-イル]-2,15-ジヒドロキシ-10,12,14-トリメチル-8,17-ジオキサビシクロ[14.1.0]ヘプタデカ-4,10,12-トリエン-9-オン
  • (1S,2R,4E,7S,10E,12E,14R,15S,16S)-7-[(2S,4E,7S,8R,9R,10S,11S)-7,9-dihydroxy-11-methoxy-8,10-dimethyldodec-4-en-2-yl]-2,15-dihydroxy-10,12,14-trimethyl-8,17-dioxabicyclo[14.1.0]heptadeca-4,10,12-trien-9-one
Other name (5)：
  • FD-891
  • Kamenoko-byo toxin
  • カメノコ病トキシン
  • (3E,5E,7R,8S,9S,10S,11R,13E,16S)-9,10-Epoxy-8,11-dihydroxy-3,5,7-trimethyl-16-[(1S,3E,6S,7R,8R,9S,10S)-6,8-dihydroxy-10-methoxy-1,7,9-trimethyl-3-undecenyl]-1-oxacyclohexadeca-3,5,13-triene-2-one
  • (3E,5E,7R,8S,9S,10S,11R,13E,16S)-3,5,7-Trimethyl-8,11-dihydroxy-9,10-epoxy-16-[(1S,3E,6S,7R,8R,9S,10S)-1,7,9-trimethyl-6,8-dihydroxy-10-methoxy-3-undecenyl]-1-oxacyclohexadeca-3,5,13-triene-2-one
CAS registry number： 142383-53-7
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