Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C40H42N4O10S |
| Molecular Weight | 770.847 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12[C@@H]3N[C@@H](CC4=CC(C)=C(OC)C(O)=C34)[C@H](O)N1[C@H]5COC(=O)[C@]8(CS[C@@H]2C6=C(OC(C)=O)C(C)=C7OCOC7=C56)NCCC9=C8NC%10=CC=C(OC)C=C9%10
InChI
InChIKey=FQFWDCVRPHOEOS-HPTGFVDJSA-N
InChI=1S/C40H42N4O10S/c1-16-10-19-11-24-38(47)44-25-13-51-39(48)40(37-21(8-9-41-40)22-12-20(49-4)6-7-23(22)43-37)14-55-36(30(44)29(42-24)26(19)31(46)32(16)50-5)28-27(25)35-34(52-15-53-35)17(2)33(28)54-18(3)45/h6-7,10,12,24-25,29-30,36,38,41-43,46-47H,8-9,11,13-15H2,1-5H3/t24-,25-,29+,30+,36+,38-,40+/m0/s1
| Molecular Formula | C40H42N4O10S |
| Molecular Weight | 770.847 |
| 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 17:37:45 UTC 2023
by
admin
on
Sat Dec 16 17:37:45 UTC 2023
|
| Record UNII |
CGD1PI0B4S
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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577748-36-8
Created by
admin on Sat Dec 16 17:37:45 UTC 2023 , Edited by admin on Sat Dec 16 17:37:45 UTC 2023
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PRIMARY | |||
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89434962
Created by
admin on Sat Dec 16 17:37:45 UTC 2023 , Edited by admin on Sat Dec 16 17:37:45 UTC 2023
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PRIMARY | |||
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CGD1PI0B4S
Created by
admin on Sat Dec 16 17:37:45 UTC 2023 , Edited by admin on Sat Dec 16 17:37:45 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
MAJOR
FECAL; PLASMA; URINE
|
