Cas no 4871-89-0 (3beta-Acetoxy-serjansaeure-methylester)
4871-89-0 structure
Product Name:3beta-Acetoxy-serjansaeure-methylester
CAS No:4871-89-0
MF:C34H52O6
MW:556.773091316223
CID:1999671
Update Time:2025-04-21
3beta-Acetoxy-serjansaeure-methylester Chemical and Physical Properties
Names and Identifiers
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- 3beta-Acetoxy-serjansaeure-methylester
- 3β-Acetyloxyolean-12-ene-28,29-dioic acid dimethyl ester
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- Inchi： 1S/C34H52O6/c1-21(35)40-26-13-14-31(5)24(29(26,2)3)12-15-33(7)25(31)11-10-22-23-20-30(4,27(36)38-8)16-18-34(23,28(37)39-9)19-17-32(22,33)6/h10,23-26H,11-20H2,1-9H3
- InChI Key： FMPVWUHIYFAQDQ-UHFFFAOYSA-N
- SMILES： COC(C1(CC2C(C(OC)=O)(CCC3(C4(C(C5(C(CC4)C(C)(C)C(OC(=O)C)CC5)C)CC=C32)C)C)CC1)C)=O
Computed Properties
- Exact Mass: 556.376
- Monoisotopic Mass: 556.376
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 40
- Rotatable Bond Count: 6
- Complexity: 1120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.9A^2
3beta-Acetoxy-serjansaeure-methylester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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