Cas no 848155-53-3 (20-epi-isoiguesterinol)
20-epi-isoiguesterinol structure
Product Name:20-epi-isoiguesterinol
CAS No:848155-53-3
MF:C28H38O3
MW:422.59952878952
CID:2062448
PubChem ID:21575471
Update Time:2025-04-21
20-epi-isoiguesterinol Chemical and Physical Properties
Names and Identifiers
-
- 20-epi-isoiguesterinol
- (9beta,13alpha,14beta,20beta)-3,29-Dihydroxy-9,13-dimethyl-24,25,26,30-tetranoroleana-1(10),3,5,7-tetraen-2-one
- 848155-53-3
- (6bS,8aR,11S,12aR,12bS,14aR)-3-hydroxy-11-(hydroxymethyl)-4,6b,8a,12b,14a-pentamethyl-7,8,8a,9,10,11,12,12a,12b,13,14,14a-dodecahydropicen-2(6bH)-one
- CHEMBL495863
- Q27134610
- (6aS,6bS,8aR,11S,12aR,14aR)-3-hydroxy-11-(hydroxymethyl)-4,6a,6b,8a,14a-pentamethyl-8,9,10,11,12,12a,13,14-octahydro-7H-picen-2-one
- CHEBI:66095
- DTXSID201115258
- (9I(2),13I+/-,14I(2),20I(2))-3,29-Dihydroxy-9,13-dimethyl-24,25,26,30-tetranoroleana-1(10),3,5,7-tetraen-2-one
-
- Inchi： 1S/C28H38O3/c1-17-19-6-7-22-26(3,20(19)15-21(30)24(17)31)11-13-28(5)23-14-18(16-29)8-9-25(23,2)10-12-27(22,28)4/h6-7,15,18,23,29,31H,8-14,16H2,1-5H3/t18-,23+,25+,26-,27+,28-/m0/s1
- InChI Key： RRKSDDREVOXSJD-TXARQUJHSA-N
- SMILES： OC[C@H]1CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)=C(C(C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)=O)O
Computed Properties
- Exact Mass: 422.28209507g/mol
- Monoisotopic Mass: 422.28209507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 1
- Complexity: 980
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 57.5?2
20-epi-isoiguesterinol Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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