Cas no 77551-14-5 (betulaprenol 6)
betulaprenol 6 structure
Product Name:betulaprenol 6
CAS No:77551-14-5
MF:C30H50O
MW:426.717409610748
CID:2063442
PubChem ID:10836209
Update Time:2025-04-21
betulaprenol 6 Chemical and Physical Properties
Names and Identifiers
-
- betulaprenol 6
- SCHEMBL4717874
- 90695-03-7
- HY-166267
- (2Z,6Z,10E,14E,18E)-Farnesylfarnesol
- all-trans-hexaprenol
- CHEBI:147321
- (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-ol
- (all-E)-hexaprenol
- HEXAPRENOL
- 77551-14-5
-
- Inchi： 1S/C30H50O/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-31/h13,15,17,19,21,23,31H,8-12,14,16,18,20,22,24H2,1-7H3/b26-15+,27-17+,28-19+,29-21+,30-23+
- InChI Key： RXILURRBPAWICG-MMSZMYIBSA-N
- SMILES： OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
Computed Properties
- Exact Mass: 426.386166214g/mol
- Monoisotopic Mass: 426.386166214g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 31
- Rotatable Bond Count: 16
- Complexity: 661
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 5
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.3
- Topological Polar Surface Area: 20.2?2
betulaprenol 6 Related Literature
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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