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19356-17-3,MFCD08600001
Catalog No.:AA003A7S

19356-17-3 | (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol

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1mg
≥98%
in stock  
$116.00   $81.00
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5mg
98%
in stock  
$132.00   $93.00
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10mg
98%
in stock  
$184.00   $129.00
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25mg
98%
in stock  
$307.00   $215.00
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100mg
98%
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$839.00   $587.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003A7S
Chemical Name:
(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
CAS Number:
19356-17-3
Molecular Formula:
C27H44O2
Molecular Weight:
400.6371
MDL Number:
MFCD08600001
SMILES:
O[C@H]1CCC(=C)/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C1
Properties
Computed Properties
 
Complexity:
655  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
2  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
6.2  

Downstream Synthesis Route

[1]Patent:US9341552,2016,B2.Locationinpatent:Page/Pagecolumn9

[2]Steroids,1992,vol.57,p.488-493

[1]Steroids,1992,vol.57,p.488-493

[1]TetrahedronLetters,1991,vol.32,p.2813-2816

35737-10-1    19356-17-3   
3-(9H-Fluoren-9-ylmethoxycarbonylamino)-propionicacid(S)-3-2-(1R,3aS,7aR)-1-((R)-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene-eth-(Z)-ylidene-4-methylene-cyclohexylester 

[1]JournaloftheChemicalSociety.Chemicalcommunications,1989,p.1220-1221

19356-17-3   
(S)-3-(1R,3aS,7aR)-1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidenemethyl-2,2-dioxo-2,3,4,5,6,7-hexahydro-1H-2λ6-benzocthiophen-5-ol 

[1]JournalofMedicinalChemistry,1985,vol.28,p.1148-1153

[2]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.2537-2540

Literature

Title: Castoldi A, et al. Calcifediol-loaded liposomes for local treatment of pulmonary bacterial infections. Eur J Pharm Biopharm. 2016 Nov 22.

Title: Wei Zheng, et al. Vitamin D-induced vitamin D receptor expression induces tamoxifen sensitivity in MCF-7 stem cells via suppression of Wnt/β-catenin signaling. Biosci Rep. 2018 Dec 7;38(6):BSR20180595.

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SDS
Tags:19356-17-3 Molecular Formula|19356-17-3 MDL|19356-17-3 SMILES|19356-17-3 (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol