Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C44H72O11 |
Molecular Weight | 777.0359 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 17 / 17 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@@H]1CC[C@@H]2O[C@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)C[C@H](OC(=O)\C=C\[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@](C)(O)[C@@H](O)[C@H](C)C\C=C\C=C\1)[C@@H]2C
InChI
InChIKey=LVWVMRBMGDJZLM-BONFEJLISA-N
InChI=1S/C44H72O11/c1-11-33-16-14-12-13-15-27(4)41(50)43(10,52)42(51)32(9)40(49)31(8)39(48)30(7)38(47)26(3)17-20-37(46)53-36-24-44(54-34(19-18-33)29(36)6)22-21-25(2)35(55-44)23-28(5)45/h12-14,16-17,20,25-36,38,40-41,45,47,49-50,52H,11,15,18-19,21-24H2,1-10H3/b13-12+,16-14+,20-17+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41-,43+,44-/m0/s1
Molecular Formula | C44H72O11 |
Molecular Weight | 777.0359 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 17 / 17 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:51:08 GMT 2023
by
admin
on
Fri Dec 15 18:51:08 GMT 2023
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Record UNII |
4736R46V0G
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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 |
C261
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admin on Fri Dec 15 18:51:08 GMT 2023 , Edited by admin on Fri Dec 15 18:51:08 GMT 2023
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m8197
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PRIMARY | Merck Index | ||
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1404-59-7
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4736R46V0G
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CHEMBL2103965
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DTXSID701318617
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1567
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C152276
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300000034453
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76958643
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7753
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Related Record | Type | Details | ||
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ACTIVE MOIETY |