Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.7162 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H]1C[C@H](O)[C@]2(C)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
InChI
InChIKey=BEGONBGYCMTFIR-RZAVEIDBSA-N
InChI=1S/C30H50O3/c1-17-15-23(32)30(8)24(33)16-29(7)19(25(30)18(17)2)9-10-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h9,17-18,20-25,31-33H,10-16H2,1-8H3/t17-,18+,20+,21-,22+,23+,24+,25+,27+,28-,29-,30-/m1/s1
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.7162 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:05:19 GMT 2025
by
admin
on
Mon Mar 31 23:05:19 GMT 2025
|
| Record UNII |
J4W2M3KE2A
|
| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English | ||
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| Code System | Code | Type | Description | ||
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46872956
Created by
admin on Mon Mar 31 23:05:19 GMT 2025 , Edited by admin on Mon Mar 31 23:05:19 GMT 2025
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1242085-06-8
Created by
admin on Mon Mar 31 23:05:19 GMT 2025 , Edited by admin on Mon Mar 31 23:05:19 GMT 2025
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J4W2M3KE2A
Created by
admin on Mon Mar 31 23:05:19 GMT 2025 , Edited by admin on Mon Mar 31 23:05:19 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
CALENDULA OFFICINALIS FLOWER terpenoid
|
