Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C40H43N3O13S |
| Molecular Weight | 805.847 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12[C@@H]3SC[C@]4(NCCC5=CC(O)=C(OC)C=C45)C(=O)OC[C@H](N1[C@@H](O)[C@@H]6CC7=CC(CC(O)=O)=C(OC)C(O)=C7[C@H]2N6C)C8=C3C(OC(C)=O)=C(C)C9=C8OCO9
InChI
InChIKey=JJILVPKJCPIGNI-PBCNNVIESA-N
InChI=1S/C40H43N3O13S/c1-16-33(56-17(2)44)29-28(36-34(16)54-15-55-36)23-13-53-39(50)40(21-12-25(51-4)24(45)10-18(21)6-7-41-40)14-57-37(29)31-30-27-19(9-22(42(30)3)38(49)43(23)31)8-20(11-26(46)47)35(52-5)32(27)48/h8,10,12,22-23,30-31,37-38,41,45,48-49H,6-7,9,11,13-15H2,1-5H3,(H,46,47)/t22-,23-,30+,31+,37+,38-,40+/m0/s1
| Molecular Formula | C40H43N3O13S |
| Molecular Weight | 805.847 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:11:44 GMT 2023
by
admin
on
Sat Dec 16 15:11:44 GMT 2023
|
| Record UNII |
6EEZ94SP3U
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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156596858
Created by
admin on Sat Dec 16 15:11:44 GMT 2023 , Edited by admin on Sat Dec 16 15:11:44 GMT 2023
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DBMET01133
Created by
admin on Sat Dec 16 15:11:44 GMT 2023 , Edited by admin on Sat Dec 16 15:11:44 GMT 2023
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6EEZ94SP3U
Created by
admin on Sat Dec 16 15:11:44 GMT 2023 , Edited by admin on Sat Dec 16 15:11:44 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
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