Cas no 59157-84-5 ((3beta)-3-hydroxy-3,25-epoxylup-20(29)-en-28-oic acid)
59157-84-5 structure
Product Name:(3beta)-3-hydroxy-3,25-epoxylup-20(29)-en-28-oic acid
CAS No:59157-84-5
MF:C30H46O4
MW:470.683849811554
CID:1616581
PubChem ID:173668
Update Time:2025-04-21
(3beta)-3-hydroxy-3,25-epoxylup-20(29)-en-28-oic acid Chemical and Physical Properties
Names and Identifiers
-
- (3beta)-3-hydroxy-3,25-epoxylup-20(29)-en-28-oic acid
- Lantabetulic acid
- 59157-84-5
- 3alpha-Hydroxy-3,25-epoxylup-20(29)-en-28-oic acid
- (1S,2S,5R,6R,7R,10S,13R,14R,17R,19S)-19-hydroxy-13,14,18,18-tetramethyl-7-prop-1-en-2-yl-20-oxahexacyclo[17.2.2.01,17.02,14.05,13.06,10]tricosane-10-carboxylic acid
- DTXSID50974585
- Benulin
- 3-Hydroxy-3,25-epoxylup-20(29)-en-28-oic acid
-
- Inchi： 1S/C30H46O4/c1-18(2)19-9-12-28(24(31)32)14-13-26(5)20(23(19)28)7-8-22-27(26,6)11-10-21-25(3,4)30(33)16-15-29(21,22)17-34-30/h19-23,33H,1,7-17H2,2-6H3,(H,31,32)/t19-,20+,21-,22-,23+,26+,27+,28-,29+,30-/m0/s1
- InChI Key： KYHMRXXFJAZYRF-MSBRYPFUSA-N
- SMILES： O1C[C@]23CC[C@]1(C(C)(C)[C@@H]2CC[C@@]1(C)[C@]2(C)CC[C@@]4(C(=O)O)CC[C@@H](C(=C)C)[C@@H]4[C@H]2CC[C@@H]13)O
Computed Properties
- Exact Mass: 470.33960994g/mol
- Monoisotopic Mass: 470.33960994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 2
- Complexity: 940
- 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: 7.2
- Topological Polar Surface Area: 66.8?2
(3beta)-3-hydroxy-3,25-epoxylup-20(29)-en-28-oic acid Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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