Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C89H99Cl2N9O33 |
| Molecular Weight | 1893.685 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 23 / 24 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC(C)CCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC2=C3OC4=CC=C(C[C@H]5NC(=O)[C@H](N)C6=CC(OC7=CC(=CC(O)=C7)[C@H](NC5=O)C(=O)N[C@@H]8C(C=C2OC9=CC=C(C=C9Cl)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10NC(C)=O)[C@@H]%11NC(=O)[C@H](NC8=O)C%12=CC=C(O)C(=C%12)C%13=C(O[C@H]%14O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%14O)C=C(O)C=C%13[C@H](NC%11=O)C(O)=O)=C3)=C(O)C=C6)C=C4Cl
InChI
InChIKey=KSPOYQQCANXEDC-WNTLLCOUSA-N
InChI=1S/C89H99Cl2N9O33/c1-4-34(2)9-7-5-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t34?,49-,58-,59-,60-,63-,64-,65+,66-,67+,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1
| Molecular Formula | C89H99Cl2N9O33 |
| Molecular Weight | 1893.685 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 23 / 24 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:55:58 GMT 2025
by
admin
on
Mon Mar 31 19:55:58 GMT 2025
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| Record UNII |
83Q83MG55O
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| Record Status |
Validated (UNII)
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| Record Version |
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91032-37-0
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m10525
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CHEMBL2105818
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17748672
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