Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C92H126N16O34S |
| Molecular Weight | 2032.137 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 24 / 24 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(OCCCCCOC2=C(OC)C=C3C(=C2)N([C@@H](O)[C@@H]4CC(C)=CN4C3=O)C(=O)OCC5=CC=C(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)COCCOCCNS(=O)(=O)NC(=O)OC[C@H]6[C@H]7CCC8=C(CC[C@@H]67)N(C[C@H]9O[C@@H](O[C@H]%10[C@@H](CO[C@@H]%11O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%11O)O[C@@H](NC(=O)C[C@H](N)C(O)=O)[C@H](NC(C)=O)[C@H]%10O)[C@H](NC(C)=O)[C@@H](O)[C@H]9O)N=N8)C(C)C)C=C5)C=C%12N=C[C@@H]%13CC(C)=CN%13C(=O)C%12=C1
InChI
InChIKey=ATWIPZWPFHCUHD-YFMMAQHESA-N
InChI=1S/C92H126N16O34S/c1-43(2)72(83(120)96-46(5)82(119)99-51-16-14-50(15-17-51)39-138-92(127)108-62-34-67(65(131-10)31-56(62)86(122)106-37-45(4)29-63(106)87(108)123)135-24-13-11-12-23-134-66-33-60-55(30-64(66)130-9)85(121)105-36-44(3)28-52(105)35-94-60)100-71(112)42-133-27-26-132-25-22-95-143(128,129)103-91(126)137-40-57-53-18-20-59-61(21-19-54(53)57)107(104-102-59)38-68-76(114)77(115)74(98-49(8)110)89(141-68)142-81-69(41-136-90-80(118)79(117)75(113)47(6)139-90)140-84(73(78(81)116)97-48(7)109)101-70(111)32-58(93)88(124)125/h14-17,30-31,33-37,43,46-47,52-54,57-58,63,68-69,72-81,84,87,89-90,95,113-118,123H,11-13,18-29,32,38-42,93H2,1-10H3,(H,96,120)(H,97,109)(H,98,110)(H,99,119)(H,100,112)(H,101,111)(H,103,126)(H,124,125)/t46-,47-,52-,53-,54+,57-,58-,63-,68+,69+,72-,73+,74+,75+,76-,77+,78+,79+,80-,81-,84+,87-,89-,90+/m0/s1
| Molecular Formula | C92H126N16O34S |
| Molecular Weight | 2032.137 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 24 / 24 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 16:29:46 GMT 2025
by
admin
on
Wed Apr 02 16:29:46 GMT 2025
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| Record UNII |
5F5WC262W3
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| Record Status |
Validated (UNII)
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| Record Version |
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5F5WC262W3
Created by
admin on Wed Apr 02 16:29:46 GMT 2025 , Edited by admin on Wed Apr 02 16:29:46 GMT 2025
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165412137
Created by
admin on Wed Apr 02 16:29:46 GMT 2025 , Edited by admin on Wed Apr 02 16:29:46 GMT 2025
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PRIMARY |