Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C26H43O9.Ca.2H2O |
| Molecular Weight | 1075.337 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Ca++].[H][C@@]2(C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O)O[C@@]2([H])[C@@H](C)[C@H](C)O.[H][C@@]4(C[C@H]3CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]3O)O[C@@]4([H])[C@@H](C)[C@H](C)O
InChI
InChIKey=DDHVILIIHBIMQU-YJGQQKNPSA-L
InChI=1S/2C26H44O9.Ca.2H2O/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;;;/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);;2*1H2/q;;+2;;/p-2/b2*16-13+;;;/t2*17-,18-,19-,20-,21-,24+,25-,26-;;;/m00.../s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C28394
Created by
admin on Fri Dec 15 15:51:20 UTC 2023 , Edited by admin on Fri Dec 15 15:51:20 UTC 2023
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| Code System | Code | Type | Description | ||
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SUB21790
Created by
admin on Fri Dec 15 15:51:20 UTC 2023 , Edited by admin on Fri Dec 15 15:51:20 UTC 2023
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RG38I2P540
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115074-43-6
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admin on Fri Dec 15 15:51:19 UTC 2023 , Edited by admin on Fri Dec 15 15:51:19 UTC 2023
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GG-71
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221128
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admin on Fri Dec 15 15:51:20 UTC 2023 , Edited by admin on Fri Dec 15 15:51:20 UTC 2023
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CHEMBL719
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DBSALT001049
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145818
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100000076263
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34858
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7025
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C61851
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5282317
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SUB14612MIG
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RG38I2P540
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admin on Fri Dec 15 15:51:20 UTC 2023 , Edited by admin on Fri Dec 15 15:51:20 UTC 2023
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1448912
Created by
admin on Fri Dec 15 15:51:20 UTC 2023 , Edited by admin on Fri Dec 15 15:51:20 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD