Cas no 2572-03-4 ('Melaleucicsaeure')
'Melaleucicsaeure' structure
Product Name:'Melaleucicsaeure'
CAS No:2572-03-4
MF:C30H46O5
MW:486.683249950409
CID:2012789
PubChem ID:14705606
Update Time:2025-04-21
'Melaleucicsaeure' Chemical and Physical Properties
Names and Identifiers
-
- 'Melaleucicsaeure'
- 3beta-Hydroxy-lup-20(29)-en-27,28-disaeure
- 3beta-hydroxy-lup-20(29)-ene-27,28-dioic acid
- 3beta-hydroxylup-20(29)-ene-27,28-dioic acid
- melaleucic acid
- Melaleucinsaeure
- 2572-03-4
- NCGC00347611-02
- Melaleucic aicd
- AKOS040735193
- (3As,5aS,5bR,9S,11aR,13aR)-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,5a-dicarboxylic acid
-
- Inchi: 1S/C30H46O5/c1-17(2)18-9-14-29(24(32)33)15-16-30(25(34)35)19(23(18)29)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h18-23,31H,1,7-16H2,2-6H3,(H,32,33)(H,34,35)
- InChI Key: JWDDEDFQFOCWRN-UHFFFAOYSA-N
- SMILES: CC(C1C2C(C(=O)O)(CCC3(C4(C(C5(C(CC4)C(C)(C)C(O)CC5)C)CCC32)C)C(=O)O)CC1)=C
Computed Properties
- Exact Mass: 486.33452456g/mol
- Monoisotopic Mass: 486.33452456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 35
- Rotatable Bond Count: 3
- Complexity: 954
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.913
- Topological Polar Surface Area: 94.8?2
'Melaleucicsaeure' Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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