Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C36H51NO11.H2O |
Molecular Weight | 691.8055 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 13 / 13 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]12C[C@@]3(O)[C@H](OC(=O)C4=CC(OC)=C(OC)C=C4)[C@]1([H])[C@@](C[C@@H]3OC)(OC(C)=O)[C@H]5[C@H](OC)[C@@]6([H])[C@@]27[C@H](CC[C@@]6(COC)CN(CC)[C@]57[H])OC
InChI
InChIKey=QACRKOKTPLCKAT-SFBKVLHYSA-N
InChI=1S/C36H51NO11.H2O/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5;/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3;1H2/t21-,24+,25+,26-,27+,28+,29-,30+,31-,33+,34+,35-,36+;/m1./s1
Molecular Formula | C36H51NO11 |
Molecular Weight | 673.7902 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 11 / 13 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:57:36 GMT 2023
by
admin
on
Sat Dec 16 10:57:36 GMT 2023
|
Record UNII |
E122S1F674
|
Record Status |
Validated (UNII)
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Record Version |
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-
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E122S1F674
Created by
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131634222
Created by
admin on Sat Dec 16 10:57:36 GMT 2023 , Edited by admin on Sat Dec 16 10:57:36 GMT 2023
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6078-27-9
Created by
admin on Sat Dec 16 10:57:36 GMT 2023 , Edited by admin on Sat Dec 16 10:57:36 GMT 2023
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m2489
Created by
admin on Sat Dec 16 10:57:36 GMT 2023 , Edited by admin on Sat Dec 16 10:57:36 GMT 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |