Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C36H56O14 |
| Molecular Weight | 712.8214 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@@H](O)C[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@@H](C2)O[C@]6([H])O[C@H](C)[C@]([H])(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](OC)[C@H]6O
InChI
InChIKey=CKNOLMVLQUPVMU-YMMLYESFSA-N
InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1
| Molecular Formula | C36H56O14 |
| Molecular Weight | 712.8214 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:07:04 GMT 2023
by
admin
on
Fri Dec 15 15:07:04 GMT 2023
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| Record UNII |
Q15ECE254B
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C47793
Created by
admin on Fri Dec 15 15:07:04 GMT 2023 , Edited by admin on Fri Dec 15 15:07:04 GMT 2023
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Q15ECE254B
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C034791
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100000079780
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3143
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Digitalin
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441856
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Q15ECE254B
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752-61-4
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1923401
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m4447
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DTXSID801024550
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28143
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C61723
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SUB13578MIG
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212-036-6
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