Cas no 228267-82-1 (Olean-12-en-28-oicacid, 2,3-dihydroxy-29-oxo-, (2b,3b,20b)- (9CI))
228267-82-1 structure
Product Name:Olean-12-en-28-oicacid, 2,3-dihydroxy-29-oxo-, (2b,3b,20b)- (9CI)
CAS No:228267-82-1
MF:C30H46O5
MW:486.683249950409
CID:287193
Update Time:2024-03-01
Olean-12-en-28-oicacid, 2,3-dihydroxy-29-oxo-, (2b,3b,20b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Olean-12-en-28-oicacid, 2,3-dihydroxy-29-oxo-, (2b,3b,20b)- (9CI)
- Eriophyllal
- Olean-12-en-28-oic acid, 2,3-dihydroxy-29-oxo-, (2β,3β,20β)- (9CI)
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- Inchi： 1S/C30H46O5/c1-25(2)21-9-10-29(6)22(27(21,4)16-20(32)23(25)33)8-7-18-19-15-26(3,17-31)11-13-30(19,24(34)35)14-12-28(18,29)5/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20-,21-,22+,23-,26-,27-,28+,29+,30-/m0/s1
- InChI Key： XMKVRNILSGRNNF-VOQUHGCTSA-N
- SMILES： [C@@H]1(O)[C@@]([C@]2([C@](C)(C[C@@H]1O)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@@](C1)(C=O)C)(C(O)=O)CC3)[H])C)(C)CC2)[H])(C)C
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.18±0.1 g/cm3(Predicted)
- Boiling Point: 597.7±50.0 °C(Predicted)
- PSA: 52.54
- pka: 4.44±0.70(Predicted)
Olean-12-en-28-oicacid, 2,3-dihydroxy-29-oxo-, (2b,3b,20b)- (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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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