Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C27H33N3O8.C6H8O7 |
Molecular Weight | 719.6897 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.[H][C@@]12[C@@H](C)C3=CC=CC(O)=C3C(=O)C1=C(O)[C@]4(O)C(=O)C(C(=O)NCN5CCCC5)=C(O)[C@@H](N(C)C)[C@]4([H])[C@H]2O
InChI
InChIKey=BGWURRIBTFTIMK-IIOKJPDASA-N
InChI=1S/C27H33N3O8.C6H8O7/c1-12-13-7-6-8-14(31)16(13)21(32)17-15(12)22(33)19-20(29(2)3)23(34)18(25(36)27(19,38)24(17)35)26(37)28-11-30-9-4-5-10-30;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,12,15,19-20,22,31,33-35,38H,4-5,9-11H2,1-3H3,(H,28,37);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t12-,15+,19+,20-,22-,27-;/m0./s1
Approval Year
Name | Type | Language | ||
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Common Name | English |
Code System | Code | Type | Description | ||
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DTC4Y9E17F
Created by
admin on Fri Dec 15 15:20:54 GMT 2023 , Edited by admin on Fri Dec 15 15:20:54 GMT 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD