Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C25H39O6.Ca.3H2O |
| Molecular Weight | 965.271 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.[Ca++].[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)C(C)(C)CC.[H][C@]34[C@H](C[C@@H](C)C=C3C=C[C@H](C)[C@@H]4CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)C(C)(C)CC
InChI
InChIKey=ZZURQDTUMWWURH-XVIDMKIDSA-L
InChI=1S/2C25H40O6.Ca.3H2O/c2*1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;;;;/h2*7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);;3*1H2/q;;+2;;;/p-2/t2*15-,16-,18+,19+,20-,21-,23-;;;;/m00..../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C25H40O6 |
| Molecular Weight | 436.5815 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:41:23 UTC 2023
by
admin
on
Fri Dec 15 15:41:23 UTC 2023
|
| Record UNII |
QSL5L73L0O
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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DTXSID10201061
Created by
admin on Fri Dec 15 15:41:23 UTC 2023 , Edited by admin on Fri Dec 15 15:41:23 UTC 2023
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PRIMARY | |||
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71587759
Created by
admin on Fri Dec 15 15:41:23 UTC 2023 , Edited by admin on Fri Dec 15 15:41:23 UTC 2023
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PRIMARY | |||
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530112-57-3
Created by
admin on Fri Dec 15 15:41:23 UTC 2023 , Edited by admin on Fri Dec 15 15:41:23 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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QSL5L73L0O
Created by
admin on Fri Dec 15 15:41:23 UTC 2023 , Edited by admin on Fri Dec 15 15:41:23 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |