Cas no 116292-24-1 (Spirost-5-ene,3-methoxy-, (3b,25R)- (9CI))
116292-24-1 structure
Product Name:Spirost-5-ene,3-methoxy-, (3b,25R)- (9CI)
CAS No:116292-24-1
MF:C28H44O3
MW:428.647169113159
CID:98374
PubChem ID:53487831
Update Time:2025-04-18
Spirost-5-ene,3-methoxy-, (3b,25R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Spirost-5-ene,3-methoxy-, (3b,25R)- (9CI)
- (3B,25R)-3-methoxy-Spirost-5-ene
- O-methyl 3-β-hydroxy-5-spirostene
- A-hydroxy-5-spirostene
- O-methyl 3-
- O-Methyl 3-hydroxy-5-spirostene
- DTXSID20705343
- (4S,5'R,7S,8R,9S,13R,16S)-16-methoxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]
- FT-0701704
- 116292-24-1
- O-methyl 3-beta-hydroxy-5-spirostene
- (3beta,8xi,9xi,14xi,22xi,25R)-3-Methoxyspirost-5-en
-
- Inchi： 1S/C28H44O3/c1-17-8-13-28(30-16-17)18(2)25-24(31-28)15-23-21-7-6-19-14-20(29-5)9-11-26(19,3)22(21)10-12-27(23,25)4/h6,17-18,20-25H,7-16H2,1-5H3/t17-,18+,20+,21?,22?,23?,24+,25+,26+,27+,28?/m1/s1
- InChI Key： FYKWZPWUJTYKJY-RAKZMQEMSA-N
- SMILES： O1C2(CC[C@@H](C)CO2)[C@@H](C)[C@H]2[C@@H]1CC1C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@@]12C)OC
Computed Properties
- Exact Mass: 428.329
- Monoisotopic Mass: 428.329
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 1
- Complexity: 761
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 27.7A^2
- XLogP3: 6.2
Spirost-5-ene,3-methoxy-, (3b,25R)- (9CI) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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