Cas no 152564-71-1 (1,7-Phenanthrenedimethanol,1,2,3,4,4a,9,10,10a-octahydro-2,6-dihydroxy-1,4a-dimethyl-,(1R,2R,4aS,10aR)-rel-)
152564-71-1 structure
Product Name:1,7-Phenanthrenedimethanol,1,2,3,4,4a,9,10,10a-octahydro-2,6-dihydroxy-1,4a-dimethyl-,(1R,2R,4aS,10aR)-rel-
CAS No:152564-71-1
MF:C18H26O4
MW:306.396646022797
CID:181501
PubChem ID:102586337
Update Time:2025-04-19
1,7-Phenanthrenedimethanol,1,2,3,4,4a,9,10,10a-octahydro-2,6-dihydroxy-1,4a-dimethyl-,(1R,2R,4aS,10aR)-rel- Chemical and Physical Properties
Names and Identifiers
-
- (1R,2R,4aS,10aR)-1,7-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
- 1,7-Phenanthrenedimethanol,1,2,3,4,4a,9,10,10a-octahydro-2,6-dihydroxy-1,4a-dimethyl-,(1R,2R,4aS,10aR)-rel-
- (3alpha)-13-(hydroxymethyl)podocarpa-8(14),9(11),12-triene-3,12,15-triol
- 1,7-bis(hydroxymethyl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-2,6-phenanthrenediol
- Bhmd-8HPAD
- 1,2,3,4,4a,9,10,10a-Octahydro-2,6-dihydroxy-1,4a-dimethyl-1,7-phenanthrenedimethanol (1alpha,2alpha,4abeta,10aalpha)-(+-)-
- 1,7-Phenanthrenedimethanol, 1,2,3,4,4a,9,10,10a-octahydro-2,6-dihydroxy-1,4a-dimethyl-, (1alpha,2alpha,4abeta,10aalpha)-(+-)-
- 152564-71-1
-
- Inchi： 1S/C18H26O4/c1-17-6-5-16(22)18(2,10-20)15(17)4-3-11-7-12(9-19)14(21)8-13(11)17/h7-8,15-16,19-22H,3-6,9-10H2,1-2H3/t15-,16-,17-,18+/m0/s1
- InChI Key： OVWWJPDVMIKQJH-XLAORIBOSA-N
- SMILES： O[C@H]1CC[C@@]2(C)C3C=C(C(CO)=CC=3CC[C@@H]2[C@@]1(C)CO)O
Computed Properties
- Exact Mass: 306.183109
- Monoisotopic Mass: 306.183109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 414
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.9
- XLogP3: 3.1
Experimental Properties
- Density: 1.229
- Boiling Point: 500.7°Cat760mmHg
- Flash Point: 233.8°C
- Refractive Index: 1.597
1,7-Phenanthrenedimethanol,1,2,3,4,4a,9,10,10a-octahydro-2,6-dihydroxy-1,4a-dimethyl-,(1R,2R,4aS,10aR)-rel- Related Literature
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
152564-71-1 (1,7-Phenanthrenedimethanol,1,2,3,4,4a,9,10,10a-octahydro-2,6-dihydroxy-1,4a-dimethyl-,(1R,2R,4aS,10aR)-rel-) Related Products
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