Cas no 18831-15-7 (Pseudotigogenin)
Pseudotigogenin structure
Product Name:Pseudotigogenin
CAS No:18831-15-7
MF:C27H44O3
MW:416.636468887329
CID:2025022
PubChem ID:12314710
Update Time:2025-04-21
Pseudotigogenin Chemical and Physical Properties
Names and Identifiers
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- Pseudotigogenin
- (25S)-5β-Furost-20(22)-ene-3β,26-diol
- Pseudosarsasapogenin
- 18831-15-7
- (1R,2S,4S,8S,9S,12S,13S,16S,18R)-6-[(3S)-4-Hydroxy-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-ol
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- Inchi： 1S/C27H44O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-22,24-25,28-29H,5-15H2,1-4H3
- InChI Key： IQDKIMJGXXRZGR-UHFFFAOYSA-N
- SMILES： CC(CCC1OC2CC3C(C2C=1C)(C)CCC1C3CCC2C1(C)CCC(O)C2)CO
Computed Properties
- Exact Mass: 416.329
- Monoisotopic Mass: 416.329
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 700
- 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
- Topological Polar Surface Area: 49.7A^2
- XLogP3: 5.7
Pseudotigogenin Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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