Cas no 118407-74-2 ((+/-)-heraclenol)
(+/-)-heraclenol structure
Product Name:(+/-)-heraclenol
CAS No:118407-74-2
MF:C16H16O6
MW:304.294645309448
CID:2075478
PubChem ID:328236
Update Time:2025-04-21
(+/-)-heraclenol Chemical and Physical Properties
Names and Identifiers
-
- (+/-)-heraclenol
- (R)-geraclenol
- (R)-heraclenol
- 8-(2,3-dihydroxy-3-methylbutoxy)psoralen
- 8-(2',3'-dihydroxyisopentyloxy)psoralen
- 9-(2,3-dihydroxy-3-methyl-butoxy)-furo[3,2-g]chromen-7-one
- aviprin
- Heraclenin-hydrat , Heraclenol
- Heraclenin-hydrat
- Heraclenol
- HY-N4052A
- komalin
- 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-,(S)-
- 9-(2,3-dihydroxy-3-methylbutoxy)-7-furo[3,2-g][1]benzopyranone
- 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-
- NSC-306227
- NCGC00179981-01
- HMS3344K11
- 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
- PFA07942
- Q27165654
- 26091-76-9
- 9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
- 9-(2,3-dihydroxy-3-methylbutoxy)-2H-furo[3,2-g]chromen-2-one
- CHEBI:93899
- NSC306227
- NS00097261
- CHEMBL454062
- 118407-74-2
- HERALENOL
- MEGxp0_000083
- ( inverted exclamation markA)-Heraclenol
- CS-0891248
- AKOS032948363
- BDBM50361380
- ACon1_001942
- Isosaxalin; Heraclenol
- BRD-A77050075-001-01-8
-
- Inchi： 1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3
- InChI Key： FOINLJRVEBYARJ-UHFFFAOYSA-N
- SMILES： CC(C(COC1C2=C(C=CC(O2)=O)C=C2C=1OC=C2)O)(O)C
Computed Properties
- Exact Mass: 304.09468823Da
- Monoisotopic Mass: 304.09468823Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 460
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 89.1?2
(+/-)-heraclenol Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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