Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C25H39O6.Ca |
| Molecular Weight | 911.225 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[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=FGHWDPOUOIKHKK-XQOMDNQHSA-L
InChI=1S/2C25H40O6.Ca/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);/q;;+2/p-2/t2*15-,16-,18+,19+,20-,21-,23-;/m00./s1
Approval Year
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NCI_THESAURUS |
C1655
Created by
admin on Fri Dec 15 15:50:55 UTC 2023 , Edited by admin on Fri Dec 15 15:50:55 UTC 2023
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YNO268EI8T
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11954370
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1612719
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CHEMBL1201391
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151006-18-7
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C96312
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DTXSID40164695
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300000044541
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NN-67
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ACTIVE MOIETY
SUBSTANCE RECORD