Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H31NO6S |
| Molecular Weight | 521.625 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C2=CC(COC3=CC4=C(C=N3)[C@H]5[C@@H](C4)[C@@H]5C(O)=O)=CC=C2
InChI
InChIKey=CODQKEMYZZKQAE-QPVYNBJUSA-N
InChI=1S/C29H31NO6S/c1-17-10-22(35-8-5-9-37(3,33)34)11-18(2)26(17)20-7-4-6-19(12-20)16-36-25-14-21-13-23-27(24(21)15-30-25)28(23)29(31)32/h4,6-7,10-12,14-15,23,27-28H,5,8-9,13,16H2,1-3H3,(H,31,32)/t23-,27-,28+/m1/s1
| Molecular Formula | C29H31NO6S |
| Molecular Weight | 521.625 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:41:33 GMT 2025
by
admin
on
Mon Mar 31 23:41:33 GMT 2025
|
| Record UNII |
11612L5SPI
|
| Record Status |
Validated (UNII)
|
| Record Version |
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73051869
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11612L5SPI
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300000041509
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DB14937
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1544739-75-4
Created by
admin on Mon Mar 31 23:41:33 GMT 2025 , Edited by admin on Mon Mar 31 23:41:33 GMT 2025
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|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |