Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C86H111N13O27S3 |
| Molecular Weight | 1855.067 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 11 / 14 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)[C@H](NC(=O)CN1[C@H](COCCS(O)(=O)=O)C[C@H](NC(=O)C(CC(O)=O)SC[C@H](N)C(O)=O)C1=O)C(=O)N[C@@H](C)C(=O)NC2=CC(CC[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(COC(=O)N(CCOC45CC6(C)CC(C)(CC(CN7N=CC(=C7C)C8=CC=C(N=C8C(O)=O)N9CCC%10=C(C9)C(=CC=C%10)C(=O)NC%11=NC%12=C(S%11)C=CC=C%12)(C6)C4)C5)CC[C@H](O)CO)C=C2
InChI
InChIKey=UXOKOGORENNYIP-SQCJSLFISA-N
InChI=1S/C86H111N13O27S3/c1-45(2)67(94-65(102)33-98-52(36-123-26-27-129(120,121)122)29-60(77(98)112)91-75(110)63(30-66(103)104)127-37-58(87)78(113)114)76(111)89-46(3)73(108)90-51-16-14-50(49(28-51)15-18-61-69(105)70(106)71(107)72(126-61)80(117)118)35-124-82(119)96(23-21-53(101)34-100)24-25-125-86-41-83(5)38-84(6,42-86)40-85(39-83,43-86)44-99-47(4)56(31-88-99)54-17-19-64(93-68(54)79(115)116)97-22-20-48-10-9-11-55(57(48)32-97)74(109)95-81-92-59-12-7-8-13-62(59)128-81/h7-14,16-17,19,28,31,45-46,52-53,58,60-61,63,67,69-72,100-101,105-107H,15,18,20-27,29-30,32-44,87H2,1-6H3,(H,89,111)(H,90,108)(H,91,110)(H,94,102)(H,103,104)(H,113,114)(H,115,116)(H,117,118)(H,92,95,109)(H,120,121,122)/t46-,52-,53-,58-,60-,61-,63?,67-,69-,70+,71-,72-,83?,84?,85?,86?/m0/s1
| Molecular Formula | C86H111N13O27S3 |
| Molecular Weight | 1855.067 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 11 / 14 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 23:08:20 GMT 2025
by
admin
on
Tue Apr 01 23:08:20 GMT 2025
|
| Record UNII |
G592S3RY7N
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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G592S3RY7N
Created by
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139593403
Created by
admin on Tue Apr 01 23:08:20 GMT 2025 , Edited by admin on Tue Apr 01 23:08:20 GMT 2025
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