Cas no 18211-63-7 (20-oxo-29-nor-betulin)
20-oxo-29-nor-betulin structure
Product Name:20-oxo-29-nor-betulin
CAS No:18211-63-7
MF:C29H48O3
MW:444.689629554749
CID:2066068
PubChem ID:46173776
Update Time:2025-04-21
20-oxo-29-nor-betulin Chemical and Physical Properties
Names and Identifiers
-
- 20-oxo-29-nor-betulin
- 20-oxobetulin
- 3beta,28-Dihydroxy-30-nor-20-oxo-lupan
- 3beta,28-Dihydroxy-30-nor-lupan-20-on
- 3beta,28-dihydroxy-30-nor-lupan-20-one
- messagenin
- 1-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone
- 1-[(3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-Hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysen-1-yl]ethan-1-one
- C08631
- CHEBI:6783
- DTXSID50672993
- 18211-63-7
- Q27107330
-
- Inchi： 1S/C29H48O3/c1-18(31)19-9-14-29(17-30)16-15-27(5)20(24(19)29)7-8-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,27)6/h19-24,30,32H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,26-,27+,28+,29+/m0/s1
- InChI Key： BSALBDFYJLSIOZ-UGWIBKDRSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H](C(C)=O)CC[C@]3(CO)CC[C@@]12C
Computed Properties
- Exact Mass: 444.36034539g/mol
- Monoisotopic Mass: 444.36034539g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 32
- Rotatable Bond Count: 2
- Complexity: 789
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.3
- Topological Polar Surface Area: 57.5?2
20-oxo-29-nor-betulin Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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