Cas no 36728-72-0 (A'-Neo-30-norgammacerane)
A'-Neo-30-norgammacerane structure
Product Name:A'-Neo-30-norgammacerane
CAS No:36728-72-0
MF:C29H50
MW:398.707309246063
CID:312352
PubChem ID:14283212
Update Time:2025-04-19
A'-Neo-30-norgammacerane Chemical and Physical Properties
Names and Identifiers
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- A'-Neo-30-norgammacerane
- 17?(H),21?(H)-30-Norhopane
- 17?(H),21?(H)-30-Norhopaneneat
- 36728-72-0
- 17Beta(H),21beta(H)-30-norhopane
- (3S,3As,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
-
- Inchi： 1S/C29H50/c1-8-20-12-17-26(4)21(20)13-18-28(6)23(26)10-11-24-27(5)16-9-15-25(2,3)22(27)14-19-29(24,28)7/h20-24H,8-19H2,1-7H3/t20-,21-,22-,23+,24+,26-,27-,28+,29+/m0/s1
- InChI Key： XKJROQIFLGXWEY-ZTPVQENVSA-N
- SMILES： [C@@]12(C)CC[C@H]3[C@@H](CC)CC[C@]3(C)[C@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C
Computed Properties
- Exact Mass: 398.391252
- Monoisotopic Mass: 398.391252
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 29
- Rotatable Bond Count: 1
- Complexity: 661
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 11.2
Experimental Properties
- Density: 0.923
- Boiling Point: 447.6°Cat760mmHg
- Flash Point: 215.7°C
- LogP: 8.88790
A'-Neo-30-norgammacerane Related Literature
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Federica Nardella,Noemi Landi,Ilaria Degano,Marta Colombo,Marco Serradimigni,Carlo Tozzi,Erika Ribechini Anal. Methods 2019 11 1449
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Alexandra Lai,Jill Baumgartner,James J. Schauer,Yinon Rudich,Michal Pardo Environ. Sci.: Atmos. 2021 1 359
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Roy M. Harrison,Jianxin Yin J. Environ. Monit. 2010 12 1404
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Ana Medi?,Marija Lje?evi?,Hideyuku Inui,Vladimir Be?koski,Ivan Koji?,Ksenija Stojanovi?,Ivanka Karad?i? RSC Adv. 2020 10 14060
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Mutai Bao,Peiyan Sun,Xiaofei Yang,Xinping Wang,Lina Wang,Lixin Cao,Fujuan Li Environ. Sci.: Processes Impacts 2014 16 1948
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