Cas no 104777-60-8 (30-Noroleana-12,20(29)-dien-28-oicacid, 3-hydroxy-, (3b)-)
104777-60-8 structure
Product Name:30-Noroleana-12,20(29)-dien-28-oicacid, 3-hydroxy-, (3b)-
CAS No:104777-60-8
MF:C29H44O3
MW:440.657869338989
CID:194934
PubChem ID:14036559
Update Time:2025-04-19
30-Noroleana-12,20(29)-dien-28-oicacid, 3-hydroxy-, (3b)- Chemical and Physical Properties
Names and Identifiers
-
- 30-Noroleana-12,20(29)-dien-28-oicacid, 3-hydroxy-, (3b)-
- akebonic acid
- 4a(2H)-Picenecarboxylicacid, 1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-10-hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylene-,(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-
- Akebonoic acid
- 30-Noroleana-12,20(29)-dien-28-oic acid, 3-hydroxy-, (3beta)-
- Q27137930
- FG4NSA90TQ
- 30-NOROLEANA-12,20(29)-DIEN-28-OIC ACID, 3-HYDROXY-, (3.BETA.)-
- UNII-FG4NSA90TQ
- CHEMBL1835437
- CHEBI:69588
- 4a(2H)-Picenecarboxylic acid, 1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-10-hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylene-, (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-
- 104777-60-8
- (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
-
- Inchi： 1S/C29H44O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,20-23,30H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1
- InChI Key： XWVVPZWKCNXREE-VSQYQUPVSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(=C)C[C@H]4C3=CC[C@@H]12
Computed Properties
- Exact Mass: 440.32922
- Monoisotopic Mass: 440.32904526g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 32
- Rotatable Bond Count: 1
- Complexity: 885
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
- LogP: 6.76360
30-Noroleana-12,20(29)-dien-28-oicacid, 3-hydroxy-, (3b)- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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2. 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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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