Cas no 4356-30-3 (methyl (3beta)-3-(acetyloxy)lup-20(29)-en-28-oate)
4356-30-3 structure
Product Name:methyl (3beta)-3-(acetyloxy)lup-20(29)-en-28-oate
CAS No:4356-30-3
MF:C33H52O4
MW:512.763590812683
CID:869040
PubChem ID:6451984
Update Time:2025-04-19
methyl (3beta)-3-(acetyloxy)lup-20(29)-en-28-oate Chemical and Physical Properties
Names and Identifiers
-
- methyl (3beta)-3-(acetyloxy)lup-20(29)-en-28-oate
- methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
- Methyl-3b-acetoxybetulinate
- AKOS040753025
- DTXSID40963044
- Methyl acetylbetulate
- Methyl (3-O-acetyl)betulinate
- Methyl 3-(acetyloxy)lup-20(29)-en-28-oate
- 4356-30-3
- SCHEMBL3784133
- Methyl 3-(acetyloxy)lup-20(29)-en-28-oate (3beta)-
- Methyl acetyl betulinate
- CHEMBL508907
- Lup-20(29)-en-28-oic acid, 3-(acetyloxy)-, methyl ester, (3beta)-
-
- Inchi： 1S/C33H52O4/c1-20(2)22-12-17-33(28(35)36-9)19-18-31(7)23(27(22)33)10-11-25-30(6)15-14-26(37-21(3)34)29(4,5)24(30)13-16-32(25,31)8/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,30-,31+,32+,33-/m0/s1
- InChI Key： FBSVHROTXUJUHS-ODLWIBRJSA-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(=O)OC)CC[C@@]12C
Computed Properties
- Exact Mass: 512.38656014g/mol
- Monoisotopic Mass: 512.38656014g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 37
- Rotatable Bond Count: 5
- Complexity: 983
- 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: 9.1
- Topological Polar Surface Area: 52.6?2
methyl (3beta)-3-(acetyloxy)lup-20(29)-en-28-oate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
4356-30-3 (methyl (3beta)-3-(acetyloxy)lup-20(29)-en-28-oate) Related Products
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- 468-44-0(Gibberellin A4)
- 263844-79-7(3,27-Dihydroxy-20(29)-lupen-28-oic acid methyl ester)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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