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AG00ABJ7

147657-22-5 | CALCIPOTRIOL MONOHYDRATE

Chemical structure of CALCIPOTRIOL MONOHYDRATE, CAS 147657-22-5
AG00ABJ7
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CAS Number 147657-22-5
Catalog Number AG00ABJ7(AGN-PC-0Q0O87)
Chemical Name CALCIPOTRIOL MONOHYDRATE
IUPAC Name (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate
InChI InChI=1S/C27H40O3.H2O/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2;/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3;1H2/b13-6+,19-7+,21-10-;/t17-,22-,23-,24+,25-,26+,27-;/m1./s1
InChI Key XBKHACNRWFKJNC-MANNPBRJSA-N
MDL Number MFCD10567086
Molecular Formula C27H42O4
Molecular Weight 430.6200
SMILES O[C@H]1C[C@H](O)C(/C(C1)=CC=C2[C@]3([H])CC[C@H]([C@@H](/C=C/[C@H](C4CC4)O)C)[C@@]3(C)CCC2)=C.[H]O[H]
UNII S7499TYY6G
Synonyms
Calcipotriol (monohydrate), Calcipotriol monohydrate, CALCIPOTRIENE HYDRATE, UNII-S7499TYY6G, 147657-22-5, S7499TYY6G, Calcipotriene monohydrate, Calcipotriol hydrate (JAN), SCHEMBL465450, CHEBI:90861, C27H40O3.H2O, 1652AH, HY-10001A, AKOS025312514, Calcipotriol hydrate, >=98% (HPLC), CS-0812, Calcipotriol (Calcipotriene) Monohydrate, D10198, W-5449, (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate, calcipotriene, Calcipotriol hydrate, CB11548, 112828-00-9,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Manufacture Date:
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    Analysis Data:
    Test: Result:
    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited