Cas no 511-82-0 (Queretaroic acid)
Queretaroic acid structure
Product Name:Queretaroic acid
CAS No:511-82-0
MF:C30H48O4
MW:472.699729919434
CID:2014172
PubChem ID:5319375
Update Time:2025-04-21
Queretaroic acid Chemical and Physical Properties
Names and Identifiers
-
- Queretaroic acid
- 3β,30-Dihydroxyolean-12-en-28-oic acid
- AC1O54QP
- MLS000563075
- MLS000563471
- 3beta,29-dihydroxyolean-12-en-28-oic acid
- MLSMR
- Mesembryanthemoidigenic acid
- MLS000563515
- SMR000470878
- SMR000470879
- DTXSID801316769
- CHEBI:168366
- (2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- LMPR0106150036
- 3beta,30-Dihydroxyolean-12-en-28-oic acid
- SCHEMBL15532615
- 511-82-0
- Queretaroate
-
- Inchi： 1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,26-,27-,28+,29+,30-/m0/s1
- InChI Key： CZWBKSDPBWNHGO-AHJCBHEUSA-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)CC[C@](C)(CO)C[C@H]4C3=CC[C@@H]12
Computed Properties
- Exact Mass: 472.35526001g/mol
- Monoisotopic Mass: 472.35526001g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 2
- Complexity: 908
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.9
- Topological Polar Surface Area: 77.8?2
Queretaroic acid Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
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
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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