Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C40H44N4O10S |
| Molecular Weight | 772.863 |
| 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=C4NC6=CC=C(OC)C=C56)C(=O)OC[C@H](N1[C@@H](O)[C@@H]7CC8=CC(C)=C(OC)C(O)=C8[C@H]2N7C)C9=C(O)C(O)=C(C)C(OC(C)=O)=C39
InChI
InChIKey=MHPHVBHUGGIALW-HPTGFVDJSA-N
InChI=1S/C40H44N4O10S/c1-16-11-19-12-24-38(49)44-25-14-53-39(50)40(37-21(9-10-41-40)22-13-20(51-5)7-8-23(22)42-37)15-55-36(30(44)29(43(24)4)26(19)33(48)34(16)52-6)28-27(25)32(47)31(46)17(2)35(28)54-18(3)45/h7-8,11,13,24-25,29-30,36,38,41-42,46-49H,9-10,12,14-15H2,1-6H3/t24-,25-,29+,30+,36+,38-,40+/m0/s1
| Molecular Formula | C40H44N4O10S |
| Molecular Weight | 772.863 |
| 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 17:11:26 UTC 2023
by
admin
on
Sat Dec 16 17:11:26 UTC 2023
|
| Record UNII |
SPI9H51GW7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
SPI9H51GW7
Created by
admin on Sat Dec 16 17:11:27 UTC 2023 , Edited by admin on Sat Dec 16 17:11:27 UTC 2023
|
PRIMARY | |||
|
154733422
Created by
admin on Sat Dec 16 17:11:27 UTC 2023 , Edited by admin on Sat Dec 16 17:11:27 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MAJOR
FECAL; PLASMA; URINE
|
