Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H72O3 |
| Molecular Weight | 625.0193 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 11 / 11 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCC)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@@]5(C)CC=C(C)[C@@H](C)[C@]25[H]
InChI
InChIKey=NKKIRZWINJADJC-GVWWBULUSA-N
InChI=1S/C42H72O3/c1-10-11-12-13-14-15-16-17-18-19-36(44)45-35-24-26-39(6)32(38(35,4)5)23-27-41(8)33(39)21-20-31-37-30(3)29(2)22-25-40(37,7)34(43)28-42(31,41)9/h22,30-35,37,43H,10-21,23-28H2,1-9H3/t30-,31-,32+,33-,34+,35+,37-,39+,40-,41-,42-/m1/s1
| Molecular Formula | C42H72O3 |
| Molecular Weight | 625.0193 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 11 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:46:02 UTC 2023
by
admin
on
Sat Dec 16 10:46:02 UTC 2023
|
| Record UNII |
BS4CLY2VQP
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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BS4CLY2VQP
Created by
admin on Sat Dec 16 10:46:02 UTC 2023 , Edited by admin on Sat Dec 16 10:46:02 UTC 2023
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270078-40-5
Created by
admin on Sat Dec 16 10:46:02 UTC 2023 , Edited by admin on Sat Dec 16 10:46:02 UTC 2023
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DTXSID701210883
Created by
admin on Sat Dec 16 10:46:02 UTC 2023 , Edited by admin on Sat Dec 16 10:46:02 UTC 2023
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11273603
Created by
admin on Sat Dec 16 10:46:02 UTC 2023 , Edited by admin on Sat Dec 16 10:46:02 UTC 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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