Cas no 138913-61-8 (Lup-20(30)-en-29-oicacid, 21-hydroxy-3-oxo-, g-lactone, (21a)-)
138913-61-8 structure
Product Name:Lup-20(30)-en-29-oicacid, 21-hydroxy-3-oxo-, g-lactone, (21a)-
CAS No:138913-61-8
MF:C30H44O3
MW:452.668569564819
CID:197008
PubChem ID:188916
Update Time:2025-04-19
Lup-20(30)-en-29-oicacid, 21-hydroxy-3-oxo-, g-lactone, (21a)- Chemical and Physical Properties
Names and Identifiers
-
- Lup-20(30)-en-29-oicacid, 21-hydroxy-3-oxo-, g-lactone, (21a)-
- (19xi,21beta)-21,29-epoxylup-20(30)-ene-3,29-dione
- 3-Oxolup-20(29)-en-30,21alpha-olide
- Lup-20(30)-en-29-oic acid, 21-hydroxy-3-oxo-, gamma-lactone, (21alpha)-
- Ochraceolide A
- (1R,2R,5R,10R,11R,14R,15S,20S,22S)-1,2,6,6,10,22-hexamethyl-17-methylidene-19-oxahexacyclo[12.10.0.02,11.05,10.015,22.016,20]tetracosane-7,18-dione
- 138913-61-8
- 21,29-Epoxylup-20(30)-ene-3,29-dione
- DTXSID50930247
-
- Inchi： 1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19+,20+,21-,23?,24+,27+,28+,29-,30-/m1/s1
- InChI Key： YCZVTFNLKYNKPH-MZDZSEAKSA-N
- SMILES： O1C(C(=C)C2[C@@H]1C[C@]1(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(C(C)(C)[C@@H]5CC[C@@]34C)=O)[C@H]12)=O
Computed Properties
- Exact Mass: 452.32904526g/mol
- Monoisotopic Mass: 452.32904526g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 33
- Rotatable Bond Count: 0
- Complexity: 948
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.7
- Topological Polar Surface Area: 43.4?2
Lup-20(30)-en-29-oicacid, 21-hydroxy-3-oxo-, g-lactone, (21a)- Related Literature
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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