Cas no 10245-08-6 (Oleana-11,13(18)-dien-29-oicacid, 3-hydroxy-22-oxo-, (3b,20a)- (9CI))
10245-08-6 structure
Product Name:Oleana-11,13(18)-dien-29-oicacid, 3-hydroxy-22-oxo-, (3b,20a)- (9CI)
CAS No:10245-08-6
MF:C30H44O4
MW:468.667969703674
CID:161885
PubChem ID:14606079
Update Time:2025-04-19
Oleana-11,13(18)-dien-29-oicacid, 3-hydroxy-22-oxo-, (3b,20a)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Oleana-11,13(18)-dien-29-oicacid, 3-hydroxy-22-oxo-, (3b,20a)- (9CI)
- 3β-Hydroxy-22-oxooleana-11,13(18)-dien-29-oic acid
- Meristotropicacid (7CI)
- Oleana-11,13(18)-dien-29-oic acid, 3b-hydroxy-22-oxo- (8CI)
- (2S,4Ar,6aR,6aS,6bR,8aR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-2-carboxylic acid
- DTXSID701338190
- Meristotropic acid
- 10245-08-6
-
- Inchi： 1S/C30H44O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8-9,20-22,31H,10-17H2,1-7H3,(H,33,34)/t20-,21+,22-,26-,27+,28-,29+,30+/m0/s1
- InChI Key： NNOJLBWHEQLURI-ZTMWTZBHSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)C(C[C@](C(=O)O)(C)CC5=C4C=C[C@@H]32)=O)C1(C)C
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 468.32395988g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 1
- Complexity: 1020
- 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: 5.5
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 52.54
Oleana-11,13(18)-dien-29-oicacid, 3-hydroxy-22-oxo-, (3b,20a)- (9CI) Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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