Cas no 76355-23-2 (9,10-Secocholesta-5,7,10(19)-triene-3,24,25,26-tetrol,(3b,5Z,7E)- (9CI))
76355-23-2 structure
Product Name:9,10-Secocholesta-5,7,10(19)-triene-3,24,25,26-tetrol,(3b,5Z,7E)- (9CI)
CAS No:76355-23-2
MF:C27H44O4
MW:432.635869026184
CID:573051
PubChem ID:6444044
Update Time:2025-04-19
9,10-Secocholesta-5,7,10(19)-triene-3,24,25,26-tetrol,(3b,5Z,7E)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 9,10-Secocholesta-5,7,10(19)-triene-3,24,25,26-tetrol,(3b,5Z,7E)- (9CI)
- (6R)-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-1,2,3-triol
- 24,25,26-trihydroxyvitamin D3
- 9,10-Secocholesta-5,7,10(19)-triene-3,24,25,26-tetrol, (3beta,5Z,7E)-
- 76355-23-2
-
- Inchi： 1S/C27H44O4/c1-18-7-11-22(29)16-21(18)10-9-20-6-5-15-26(3)23(12-13-24(20)26)19(2)8-14-25(30)27(4,31)17-28/h9-10,19,22-25,28-31H,1,5-8,11-17H2,2-4H3/b20-9+,21-10-/t19-,22-,23-,24+,25?,26-,27?/m1/s1
- InChI Key： KUIHAHXZFFZCMZ-SSVDRPEOSA-N
- SMILES： OC(C(C)(CO)O)CC[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
- Exact Mass: 432.32396
- Monoisotopic Mass: 432.32396
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 7
- Complexity: 710
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.9
- XLogP3: 4
Experimental Properties
- Density: 1.11
- Boiling Point: 615.5°C at 760 mmHg
- Flash Point: 262.4°C
- Refractive Index: 1.56
9,10-Secocholesta-5,7,10(19)-triene-3,24,25,26-tetrol,(3b,5Z,7E)- (9CI) Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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