Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C54H78O5 |
| Molecular Weight | 807.1941 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 6 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@H](C)\C=C\[C@H](O[C@H](\C=C\[C@@H](C)[C@@]4([H])CC[C@@]5([H])\C(CCC[C@]45C)=C\C=C6\C[C@@H](O)C[C@H](O)C6=C)C7CC7)C8CC8
InChI
InChIKey=SWFKKEWQRMPWFV-KCUJSJJZSA-N
InChI=1S/C54H78O5/c1-33(45-21-23-47-37(9-7-27-53(45,47)5)13-19-41-29-43(55)31-49(57)35(41)3)11-25-51(39-15-16-39)59-52(40-17-18-40)26-12-34(2)46-22-24-48-38(10-8-28-54(46,48)6)14-20-42-30-44(56)32-50(58)36(42)4/h11-14,19-20,25-26,33-34,39-40,43-52,55-58H,3-4,7-10,15-18,21-24,27-32H2,1-2,5-6H3/b25-11+,26-12+,37-13+,38-14+,41-19-,42-20-/t33-,34-,43-,44-,45-,46-,47+,48+,49+,50+,51-,52+,53-,54-/m1/s1
| Molecular Formula | C54H78O5 |
| Molecular Weight | 807.1941 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 6 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:39:56 UTC 2023
by
admin
on
Sat Dec 16 01:39:56 UTC 2023
|
| Record UNII |
8131718TXJ
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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76967109
Created by
admin on Sat Dec 16 01:39:56 UTC 2023 , Edited by admin on Sat Dec 16 01:39:56 UTC 2023
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8131718TXJ
Created by
admin on Sat Dec 16 01:39:56 UTC 2023 , Edited by admin on Sat Dec 16 01:39:56 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |
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PARENT -> IMPURITY |
Calcipotriene impurity G and calcipotriene impurity H not more than 0.25%
CHROMATOGRAPHIC PURITY (TLC)
USP
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