Cas no 6610-54-4 (Lup-20(29)-en-3-ol,acetate, (3a)- (9CI))
6610-54-4 structure
Product Name:Lup-20(29)-en-3-ol,acetate, (3a)- (9CI)
CAS No:6610-54-4
MF:C32H52O2
MW:468.754090309143
CID:525436
PubChem ID:21155869
Update Time:2025-04-19
Lup-20(29)-en-3-ol,acetate, (3a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Lup-20(29)-en-3-ol,acetate, (3a)- (9CI)
- [(1R,3aR,5aR,5bR,7aR,9R,11aR,13aR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
- Lup-20(29)-en-3-ol, acetate, (3alpha)-
- [(1R,3Ar,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
- 3-Epilupenyl acetateacetate
- Epilupeol acetate
- 3-O-Acetylepilupeol
- Isolupenyl acetate
- AKOS040751701
- 6610-54-4
-
- Inchi： 1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26+,27+,29+,30-,31+,32+/m0/s1
- InChI Key： ODSSDTBFHAYYMD-OZDORTEPSA-N
- SMILES： O(C(C)=O)[C@@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H](C(=C)C)CC[C@]3(C)CC[C@@]12C
Computed Properties
- Exact Mass: 468.396731
- Monoisotopic Mass: 468.396731
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 34
- Rotatable Bond Count: 3
- Complexity: 872
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 10.4
Experimental Properties
- Density: 1.01
- Boiling Point: 502.7°Cat760mmHg
- Flash Point: 254.7°C
- Refractive Index: 1.524
Lup-20(29)-en-3-ol,acetate, (3a)- (9CI) Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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