Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H29NO.C8H8O3 |
| Molecular Weight | 463.6084 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H](C(O)=O)C1=CC=CC=C1.[H][C@@]23CCCC[C@@]24CCN(CC5CCC5)[C@@H]3CC6=CC=C(O)C=C46
InChI
InChIKey=CBWUCCIELNNDND-ZQAVXXLMSA-N
InChI=1S/C21H29NO.C8H8O3/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15;9-7(8(10)11)6-4-2-1-3-5-6/h7-8,13,15,18,20,23H,1-6,9-12,14H2;1-5,7,9H,(H,10,11)/t18-,20+,21+;7-/m00/s1
| Molecular Formula | C21H29NO |
| Molecular Weight | 311.4611 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | ( - ) |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.1473 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:29:53 UTC 2023
by
admin
on
Sat Dec 16 09:29:53 UTC 2023
|
| Record UNII |
C827PE9BT9
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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259192-07-9
Created by
admin on Sat Dec 16 09:29:53 UTC 2023 , Edited by admin on Sat Dec 16 09:29:53 UTC 2023
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C827PE9BT9
Created by
admin on Sat Dec 16 09:29:53 UTC 2023 , Edited by admin on Sat Dec 16 09:29:53 UTC 2023
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9804449
Created by
admin on Sat Dec 16 09:29:53 UTC 2023 , Edited by admin on Sat Dec 16 09:29:53 UTC 2023
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PRIMARY |
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