Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C88H97Cl2N9O33 |
| Molecular Weight | 1879.658 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 23 / 23 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(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=GHOXVFYORXUCPY-PKMGYIMSSA-N
InChI=1S/C88H97Cl2N9O33/c1-33(2)8-6-4-5-7-9-60(108)94-68-74(113)71(110)58(31-101)129-87(68)132-78-55-25-40-26-56(78)126-52-17-13-38(23-47(52)90)77(131-86-67(92-34(3)103)73(112)70(109)57(30-100)128-86)69-84(121)98-66(85(122)123)45-28-42(105)29-54(127-88-76(115)75(114)72(111)59(32-102)130-88)61(45)44-22-37(12-14-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-20-41(104)27-43(21-39)124-53-24-36(11-15-50(53)107)62(91)80(117)93-48(79(116)95-64)19-35-10-16-51(125-55)46(89)18-35/h10-18,20-29,33,48,57-59,62-77,86-88,100-102,104-107,109-115H,4-9,19,30-32,91H2,1-3H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1
| Molecular Formula | C88H97Cl2N9O33 |
| Molecular Weight | 1879.658 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 23 / 23 |
| 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 |
9V7Z6HDK93
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| Record Status |
Validated (UNII)
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| Record Version |
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16198036
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CHEMBL2105779
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m10525
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DTXSID30872358
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9V7Z6HDK93
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