Details
| Stereochemistry | UNKNOWN |
| Molecular Formula | C90H101ClN8O39 |
| Molecular Weight | 1954.248 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 19 / 32 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(CC5=CC=C(OC6=CC3=CC(OC7=C(Cl)C=C(C=C7)C2OC8C[C@@H](N)[C@H](O)[C@@H](C)O8)=C6OC9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9OC%10O[C@H](C)[C@@H](O)[C@H](O)[C@@H]%10O)C=C5)NC(=O)C(N)C%11=CC(OC%12=C(C)C(OC%13O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%13O)=CC4=C%12)=C(O)C=C%11)C%14=CC(=C(O)C=C%14)C%15=C(OC%16O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%16O)C=C(O)C=C1%15
InChI
InChIKey=KAKQAAZRQJPUOS-DNGYIYSOSA-N
InChI=1S/C90H101ClN8O39/c1-29-48-19-36(20-49(29)131-88-75(116)71(112)67(108)54(26-100)133-88)61-83(121)97-62-37-21-52(128-39-10-5-32(6-11-39)15-44(80(118)95-61)94-81(119)59(93)33-7-13-46(105)50(18-33)130-48)78(137-90-79(73(114)69(110)56(28-102)135-90)138-87-74(115)70(111)66(107)31(3)127-87)53(22-37)129-47-14-9-35(17-42(47)91)77(136-57-25-43(92)65(106)30(2)126-57)64-85(123)98-63(86(124)125-4)41-23-38(103)24-51(132-89-76(117)72(113)68(109)55(27-101)134-89)58(41)40-16-34(8-12-45(40)104)60(82(120)99-64)96-84(62)122/h5-14,16-24,30-31,43-44,54-57,59-77,79,87-90,100-117H,15,25-28,92-93H2,1-4H3,(H,94,119)(H,95,118)(H,96,122)(H,97,121)(H,98,123)(H,99,120)/t30-,31-,43-,44?,54-,55-,56-,57?,59?,60?,61?,62?,63?,64?,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77?,79-,87?,88?,89?,90?/m1/s1
| Molecular Formula | C90H101ClN8O39 |
| Molecular Weight | 1954.248 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 19 / 32 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:59:19 GMT 2025
by
admin
on
Mon Mar 31 21:59:19 GMT 2025
|
| Record UNII |
AQ36775D27
|
| Record Status |
Validated (UNII)
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| Record Version |
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