Cas no 138883-56-4 ((+)-13-stemarene)
(+)-13-stemarene structure
Product Name:(+)-13-stemarene
CAS No:138883-56-4
MF:C20H32
MW:272.468086242676
CID:2042535
PubChem ID:15161496
Update Time:2025-04-21
(+)-13-stemarene Chemical and Physical Properties
Names and Identifiers
-
- (+)-13-stemarene
- (+)-stemar-13-ene
- Stemar-13-ene
- syn-stemar-13-ene
- (4aS,6aS,9R,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,6a,9,10,11,11b-dodecahydro-9,11a-methanocyclohepta[a]naphthalene
- Q7607306
- MCRAOCBPZAIHJQ-QBYKVAOYSA-N
- Stemarene
- CHEBI:50069
- (1R,2S,7S,10S,13R)-2,6,6,12-tetramethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-ene
- LMPR0104030008
- DTXSID501027117
- C18223
- 138883-56-4
-
- Inchi: 1S/C20H32/c1-14-12-16-6-7-17-18(2,3)9-5-10-19(17,4)20(16)11-8-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17+,19+,20-/m1/s1
- InChI Key: MCRAOCBPZAIHJQ-QBYKVAOYSA-N
- SMILES: [C@]123CC[C@@H](C(C)=C[C@@H]1CC[C@H]1C(C)(C)CCC[C@]21C)C3
Computed Properties
- Exact Mass: 272.250401021g/mol
- Monoisotopic Mass: 272.250401021g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 457
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.7
- Topological Polar Surface Area: 0?2
(+)-13-stemarene Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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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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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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