Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H38O11 |
| Molecular Weight | 562.6054 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]3([H])[C@@]4([H])C[C@@H](O[C@]5([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(=O)C=C4C(C)=C[C@@]23[H]
InChI
InChIKey=RUHIUUOBALNOMY-BPWOAZIHSA-N
InChI=1S/C29H38O11/c1-12-9-18-15(5-7-28(4)19(18)6-8-29(28,13(2)30)40-14(3)31)17-11-21(20(32)10-16(12)17)38-27-24(35)22(33)23(34)25(39-27)26(36)37/h9-10,15,17-19,21-25,27,33-35H,5-8,11H2,1-4H3,(H,36,37)/t15-,17-,18-,19+,21-,22+,23+,24-,25+,27-,28+,29+/m1/s1
| Molecular Formula | C29H38O11 |
| Molecular Weight | 562.6054 |
| 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
Sat Dec 16 19:46:48 GMT 2023
by
admin
on
Sat Dec 16 19:46:48 GMT 2023
|
| Record UNII |
YLK5RSH57K
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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YLK5RSH57K
Created by
admin on Sat Dec 16 19:46:49 GMT 2023 , Edited by admin on Sat Dec 16 19:46:49 GMT 2023
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168429514
Created by
admin on Sat Dec 16 19:46:49 GMT 2023 , Edited by admin on Sat Dec 16 19:46:49 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
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|
