Cas no 107693-87-8 (Urs-12-en-28-oic acid,1,3-dihydroxy-, (1b,3b)-)
107693-87-8 structure
Product Name:Urs-12-en-28-oic acid,1,3-dihydroxy-, (1b,3b)-
CAS No:107693-87-8
MF:C30H48O4
MW:472.699729919434
CID:164634
PubChem ID:183863
Update Time:2025-04-19
Urs-12-en-28-oic acid,1,3-dihydroxy-, (1b,3b)- Chemical and Physical Properties
Names and Identifiers
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- Urs-12-en-28-oic acid,1,3-dihydroxy-, (1b,3b)-
- (+)-Kanericacid
- Kaneric acid
- 107693-87-8
- 1beta,3beta-Dihydroxyurs-12-en-28-oic acid
- (+)-Kaneric acid
- Urs-12-en-28-oic acid, 1,3-dihydroxy-, (1beta,3beta)-
- 1,3-Dihydroxyurs-12-en-28-oic acid
- DTXSID00910493
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- Inchi： 1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-27(5)19(24(30)18(17)2)8-9-21-28(27,6)12-11-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21+,22+,23-,24-,27-,28-,29+,30+/m1/s1
- InChI Key： IONFWKSMWBHQIK-IIJUFBHKSA-N
- SMILES： O[C@@H]1C[C@@H](C(C)(C)C2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CC[C@@H](C)[C@H](C)[C@@H]5C4=CC[C@@H]3[C@]21C)O
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: 1
- Complexity: 908
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 77.8?2
Urs-12-en-28-oic acid,1,3-dihydroxy-, (1b,3b)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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