Cas no 7715-76-6 (pimara-8,15-dien-18-oic acid)
pimara-8,15-dien-18-oic acid structure
Product Name:pimara-8,15-dien-18-oic acid
CAS No:7715-76-6
MF:C20H30O2
MW:302.451006412506
CID:1783656
PubChem ID:15627709
Update Time:2025-04-21
pimara-8,15-dien-18-oic acid Chemical and Physical Properties
Names and Identifiers
-
- pimara-8,15-dien-18-oic acid
- 1-phenant<wbr>
- LogP
- 7715-76-6
- SCHEMBL9471489
- DTXSID501025642
-
- Inchi： 1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,16H,1,6-13H2,2-4H3,(H,21,22)/t16-,18-,19-,20-/m1/s1
- InChI Key： BFPAVSSBPLQXJZ-VBSBHUPXSA-N
- SMILES： OC([C@]1(C)CCC[C@]2(C)C3CC[C@](C=C)(C)CC=3CC[C@H]21)=O
Computed Properties
- Exact Mass: 302.2247
- Monoisotopic Mass: 302.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 546
- 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
- XLogP3: 5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
pimara-8,15-dien-18-oic acid Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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2. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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