Cas no 18318-70-2 (15-Acetoxylabd-8(17)-en-19-carbonsaeure)
18318-70-2 structure
Product Name:15-Acetoxylabd-8(17)-en-19-carbonsaeure
CAS No:18318-70-2
MF:C22H36O4
MW:364.518847465515
CID:2040024
PubChem ID:133556466
Update Time:2025-04-21
15-Acetoxylabd-8(17)-en-19-carbonsaeure Chemical and Physical Properties
Names and Identifiers
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- 15-Acetoxylabd-8(17)-en-19-carbonsaeure
- 18318-70-2
- Acetylimbricatolic acid
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- Inchi： 1S/C22H36O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h15,18-19H,2,6-14H2,1,3-5H3,(H,24,25)
- InChI Key： AAPGEKMDLXBUBL-UHFFFAOYSA-N
- SMILES： CC(CCC1C2(CCCC(C2CCC1=C)(C(=O)O)C)C)CCOC(=O)C
Computed Properties
- Exact Mass: 364.26135963Da
- Monoisotopic Mass: 364.26135963Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 8
- Complexity: 554
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.5
- Topological Polar Surface Area: 63.6?2
15-Acetoxylabd-8(17)-en-19-carbonsaeure Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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