Chem
J-GLOBAL ID：200907064861092621   Nikkaji number：J2.770.876E

Lythramine

リトラミン
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： C29H37NO5
Molecular formula furigana： C29-H37-N-O5
Molecular weight： 479.617
InChI： InChI=1S/C29H37NO5/c1-19(31)35-25-11-7-21-9-13-29(33-2)27(15-21)26-14-20(8-12-28(26)32)6-10-24-16-22-4-3-5-23(17-25)30(22)18-34-24/h8-9,12-15,22-25,32H,3-7,10-11,16-18H2,1-2H3/t22-,23-,24+,25+/m1/s1
InChI key： YODZWLPSGSZPHZ-NGSHPTGOSA-N
SMILES： COc1ccc2CC[C@@H](C[C@H]3CCC[C@@H]4C[C@H](CCc5ccc(O)c(c5)c1c2)OCN34)OC(=O)C
Systematic name  (3)：
  • (3S,18S,19aR,23R)-4,5,17,18,19,19a,20,21,22,23-デカヒドロ-12-メトキシ-3H,16H-3,23-メタノ-6,10:11,15-ジメテノピリド[1,2-c][1,3]オキサアザシクロヘニコシン-9,18-ジオール18-アセタート
  • (9S,13R,17R,19S)-3-ヒドロキシ-25-メトキシ-10-オキサ-12-アザペンタシクロ[20.3.1.12,6.19,13.012,17]オクタコサ-1(26),2(28),3,5,22,24-ヘキサエン-19-イル アセタート
  • (9S,13R,17R,19S)-3-hydroxy-25-methoxy-10-oxa-12-azapentacyclo[20.3.1.12,6.19,13.012,17]octacosa-1(26),2(28),3,5,22,24-hexaen-19-yl acetate
Other name (3)：
  • (3S,18S,19aR,23R)-4,5,17,18,19,19a,20,21,22,23-Decahydro-12-methoxy-3H,16H-3,23-methano-6,10:11,15-dimethenopyrido[1,2-c][1,3]oxaazacyclohenicosine-9,18-diol 18-acetate
  • Lythramine
  • リトラミン
CAS registry number： 32420-56-7
KEGG COMPOUND： C10604
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