Chem
J-GLOBAL ID：200907041108939654   Nikkaji number：J2.307.516D

(1S,4R,13R)-4-[(Benzyloxy)methyl]-6,7-[methylenebis(oxy)]-9-hydroxy-16-methoxy-8,17,21-trimethyl-15-(benzyloxy)-3,21-diazapentacyclo[11.7.1.03,12.05,10.014,19]henicosane-5,7,9,11,14(19),15,17-heptaene-2-one

(1R,13R,16S)-22-(ベンジルオキシ)-13-[(ベンジルオキシ)メチル]-5-ヒドロキシ-21-メトキシ-6,20,24-トリメチル-8,10-ジオキサ-14,24-ジアザヘキサシクロ[14.7.1.02,14.04,12.07,11.018,23]テトラコサ-2,4,6,11,18,20,22-ヘプタエン-15-オン
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： C39H38N2O7
Molecular formula furigana： C39-H38-N2-O7
Molecular weight： 646.740
InChI： InChI=1S/C39H38N2O7/c1-22-15-26-16-29-39(43)41-28(33(40(29)3)31(26)37(35(22)44-4)46-19-25-13-9-6-10-14-25)17-27-32(38-36(47-21-48-38)23(2)34(27)42)30(41)20-45-18-24-11-7-5-8-12-24/h5-15,17,29-30,33,42H,16,18-21H2,1-4H3/t29-,30-,33-/m0/s1
InChI key： RDJBTBSSDFUIDO-NGCAANIMSA-N
SMILES： COc1c(C)cc2C[C@@H]3N(C)[C@@H](C4=Cc5c(O)c(C)c6OCOc6c5[C@H](COCc5ccccc5)N4C3=O)c2c1OCc1ccccc1
Systematic name  (3)：
  • (1S,4R,13R)-4-[(ベンジルオキシ)メチル]-6,7-[メチレンビス(オキシ)]-9-ヒドロキシ-16-メトキシ-8,17,21-トリメチル-15-(ベンジルオキシ)-3,21-ジアザペンタシクロ[11.7.1.03,12.05,10.014,19]ヘニコサン-5,7,9,11,14(19),15,17-ヘプタエン-2-オン
  • (1R,13R,16S)-22-(ベンジルオキシ)-13-[(ベンジルオキシ)メチル]-5-ヒドロキシ-21-メトキシ-6,20,24-トリメチル-8,10-ジオキサ-14,24-ジアザヘキサシクロ[14.7.1.02,14.04,12.07,11.018,23]テトラコサ-2,4,6,11,18,20,22-ヘプタエン-15-オン
  • (1R,13R,16S)-22-(benzyloxy)-13-[(benzyloxy)methyl]-5-hydroxy-21-methoxy-6,20,24-trimethyl-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-2,4,6,11,18,20,22-heptaen-15-one
Other name (1)：
  • (1S,4R,13R)-4-[(Benzyloxy)methyl]-6,7-[methylenebis(oxy)]-9-hydroxy-16-methoxy-8,17,21-trimethyl-15-(benzyloxy)-3,21-diazapentacyclo[11.7.1.03,12.05,10.014,19]henicosane-5,7,9,11,14(19),15,17-heptaene-2-one
Thsaurus map：
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