Cas no 88048-00-4 (17-Norkaur-15-ene-3,12-dione,13-methyl-, (8b,13b)- (9CI))
88048-00-4 structure
Product Name:17-Norkaur-15-ene-3,12-dione,13-methyl-, (8b,13b)- (9CI)
CAS No:88048-00-4
MF:C20H28O2
MW:300.435126304626
CID:728934
PubChem ID:14191181
Update Time:2024-03-01
17-Norkaur-15-ene-3,12-dione,13-methyl-, (8b,13b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 17-Norkaur-15-ene-3,12-dione,13-methyl-, (8b,13b)- (9CI)
- 17-Norkaur-15-ene-3,12-dione, 13-methyl-, (8β,13β)- (9CI)
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- Inchi： 1S/C20H28O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-14H,5-8,11-12H2,1-4H3
- InChI Key： ZUZSPZMYVHKHKO-UHFFFAOYSA-N
- SMILES： O=C1CC2C3(C=CC1(C)C3)CCC1C(C)(C)C(CCC21C)=O
Computed Properties
- Exact Mass: 300.208930132g/mol
- Monoisotopic Mass: 300.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 601
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 34.1?2
17-Norkaur-15-ene-3,12-dione,13-methyl-, (8b,13b)- (9CI) Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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