Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C38H34O14 |
Molecular Weight | 714.6682 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 11 / 11 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12O[C@H](O[C@]1([H])[C@@H](O[C@@]3([H])O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](OC4=CC=CC5=C4C6=C7C(C(=O)OC8=CC=C(C)C(C(=O)O6)=C78)=C5O)O[C@@H]2C)C9=CC=CC=C9
InChI
InChIKey=XFXSVFLGSJQVAJ-FSPYWXQFSA-N
InChI=1S/C38H34O14/c1-14-12-13-20-23-21(14)34(43)49-31-22-18(27(40)25(24(23)31)35(44)47-20)10-7-11-19(22)48-38-33(52-37-29(42)28(41)26(39)15(2)45-37)32-30(16(3)46-38)50-36(51-32)17-8-5-4-6-9-17/h4-13,15-16,26,28-30,32-33,36-42H,1-3H3/t15-,16-,26+,28+,29-,30+,32+,33-,36-,37-,38+/m1/s1
Molecular Formula | C38H34O14 |
Molecular Weight | 714.6682 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 11 / 11 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:33:41 GMT 2023
by
admin
on
Sat Dec 16 19:33:41 GMT 2023
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Record UNII |
A9EUJ9G7KQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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10327496
Created by
admin on Sat Dec 16 19:33:41 GMT 2023 , Edited by admin on Sat Dec 16 19:33:41 GMT 2023
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A9EUJ9G7KQ
Created by
admin on Sat Dec 16 19:33:41 GMT 2023 , Edited by admin on Sat Dec 16 19:33:41 GMT 2023
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132116-72-4
Created by
admin on Sat Dec 16 19:33:41 GMT 2023 , Edited by admin on Sat Dec 16 19:33:41 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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Related Record | Type | Details | ||
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PARENT -> METABOLITE ACTIVE |
Metabolite rapidly formed, IST-622 not seen in plasma.
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