Cas no 1174174-29-8 (3alpha-O-acetylolean-12-en-23,27-dioic acid)
1174174-29-8 structure
Product Name:3alpha-O-acetylolean-12-en-23,27-dioic acid
CAS No:1174174-29-8
MF:C32H48O6
MW:528.719930648804
CID:2007633
Update Time:2025-04-21
3alpha-O-acetylolean-12-en-23,27-dioic acid Chemical and Physical Properties
Names and Identifiers
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- 3alpha-O-acetylolean-12-en-23,27-dioic acid
- aceriphyllic acid F
- (+)-Aceriphyllic acid F
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- Inchi： 1S/C32H48O6/c1-19(33)38-24-11-12-29(5)22-9-8-20-21-18-27(2,3)14-15-28(21,4)16-17-32(20,26(36)37)30(22,6)13-10-23(29)31(24,7)25(34)35/h8,21-24H,9-18H2,1-7H3,(H,34,35)(H,36,37)
- InChI Key： DFNMEZDDQABOQT-UHFFFAOYSA-N
- SMILES： CC(OC1C(C(=O)O)(C)C2CCC3(C4(C(C5C(CC4)(C)CCC(C)(C)C5)=CCC3C2(C)CC1)C(=O)O)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 38
- XLogP3: 9.17000000000001
3alpha-O-acetylolean-12-en-23,27-dioic acid Related Literature
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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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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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