Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C44H76O3 |
| Molecular Weight | 653.0724 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CC(C)(C)CC[C@]1(C)[C@@H](O)C[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@]5([H])CC[C@@]34C
InChI
InChIKey=XQMZNCFIEZVHBU-UVOYCXMHSA-N
InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-25-26-42(7)34(40(37,4)5)24-27-43(8)35(42)23-22-32-33-30-39(2,3)28-29-41(33,6)36(45)31-44(32,43)9/h22,33-37,45H,10-21,23-31H2,1-9H3/t33-,34-,35+,36-,37-,41-,42-,43+,44+/m0/s1
| Molecular Formula | C44H76O3 |
| Molecular Weight | 653.0724 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:46:03 GMT 2023
by
admin
on
Sat Dec 16 10:46:03 GMT 2023
|
| Record UNII |
T29C9ZB4NQ
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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T29C9ZB4NQ
Created by
admin on Sat Dec 16 10:46:03 GMT 2023 , Edited by admin on Sat Dec 16 10:46:03 GMT 2023
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11017737
Created by
admin on Sat Dec 16 10:46:03 GMT 2023 , Edited by admin on Sat Dec 16 10:46:03 GMT 2023
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161405-92-1
Created by
admin on Sat Dec 16 10:46:03 GMT 2023 , Edited by admin on Sat Dec 16 10:46:03 GMT 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Calendula officinalis saponin. Calendula is not used in foods. Previously, calendula has been listed as GRAS (Generally Recognised As Safe).
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