Cas no 81446-12-0 ((6S)-6-[(1R,3As,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol)
![(6S)-6-[(1R,3As,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol structure](https://ossimg.kuujia.com/scimg/81500/81446-12-0x500.png)
81446-12-0 structure
Product Name:(6S)-6-[(1R,3As,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol
CAS No:81446-12-0
MF:C27H44O3
MW:416.636468887329
CID:986756
Update Time:2023-08-02
(6S)-6-[(1R,3As,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol Chemical and Physical Properties
Names and Identifiers
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- 22,25-dihydroxyvitamin D3
- (6S)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol
- 22,25-(OH)2D3
- (6S)-6-[(1R,3As,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol
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- Inchi： 1S/C27H44O3/c1-18-8-11-22(28)17-21(18)10-9-20-7-6-15-27(5)23(12-13-24(20)27)19(2)25(29)14-16-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22+,23+,24-,25?,27+/m0/s1
- InChI Key： CJLCEMXSNQNVPU-LSODONFWSA-N
- SMILES： OC(CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C(=C)CC[C@H](C\3)O)/CCC[C@]12C
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 688
- Topological Polar Surface Area: 60.7
(6S)-6-[(1R,3As,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
81446-12-0 ((6S)-6-[(1R,3As,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol) Related Products
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