N-Benzyladriamycin-14-Valerate
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Product Description
Product
N-Benzyladriamycin-14-Valerate
CAS
98983-21-2
Formula
C39H43NO12
Synonym
N-benzyladriamycin-14-valerate; (8S,10S)-10-(3-Benzylamino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyloxy)-7,8,9,10-tetrahydro-6,8a,11-trihydroxy-8-(valeryloxyacetyl)-1-methoxy-5,12-naphthacenedione; AD 198
Typical Product Specifications
Molecular weight
717.76
SMILES
c1ccc2C(c3c(c(c4c(C[C@](C(=O)COC(CCCC)=O)(O)C[C@@H]4O[C@@H]4O[C@H]([C@H]([C@H](C4)NCc4ccccc4)O)C)c3O)O)C(c2c1OC)=O)=O
InChI
IUKSGXMOHXEUJY-YWVRLZQXSA-N
InChIKey
1S/C39H43NO12/c1-4-5-14-28(42)50-19-27(41)39(48)16-23-31(38(47)33-32(36(23)45)35(44)22-12-9-13-25(49-3)30(22)37(33)46)26(17-39)52-29-15-24(34(43)20(2)51-29)40-18-21-10-7-6-8-11-21/h6-13,20,24,26,29,34,40,43,45,47-48H,4-5,14-19H2,1-3H3/t20-,24-,26-,29
Class
N-Benzyladriamycin-14-Valerate
Product Description
Product
N-Benzyladriamycin-14-Valerate
CAS
98983-21-2
Formula
C39H43NO12
Synonym
N-benzyladriamycin-14-valerate; (8S,10S)-10-(3-Benzylamino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyloxy)-7,8,9,10-tetrahydro-6,8a,11-trihydroxy-8-(valeryloxyacetyl)-1-methoxy-5,12-naphthacenedione; AD 198
Typical Product Specifications
Molecular weight
717.76
SMILES
c1ccc2C(c3c(c(c4c(C[C@](C(=O)COC(CCCC)=O)(O)C[C@@H]4O[C@@H]4O[C@H]([C@H]([C@H](C4)NCc4ccccc4)O)C)c3O)O)C(c2c1OC)=O)=O
InChI
IUKSGXMOHXEUJY-YWVRLZQXSA-N
InChIKey
1S/C39H43NO12/c1-4-5-14-28(42)50-19-27(41)39(48)16-23-31(38(47)33-32(36(23)45)35(44)22-12-9-13-25(49-3)30(22)37(33)46)26(17-39)52-29-15-24(34(43)20(2)51-29)40-18-21-10-7-6-8-11-21/h6-13,20,24,26,29,34,40,43,45,47-48H,4-5,14-19H2,1-3H3/t20-,24-,26-,29
Class
