Cas no 1615-99-2 (A'-Neo-26,28-dinorgammacer-9(11)-ene,13,17-dimethyl-, (8a,13a,14b,17a,18b)-)
1615-99-2 structure
Product Name:A'-Neo-26,28-dinorgammacer-9(11)-ene,13,17-dimethyl-, (8a,13a,14b,17a,18b)-
A'-Neo-26,28-dinorgammacer-9(11)-ene,13,17-dimethyl-, (8a,13a,14b,17a,18b)- Chemical and Physical Properties
Names and Identifiers
-
- A'-Neo-26,28-dinorgammacer-9(11)-ene,13,17-dimethyl-, (8a,13a,14b,17a,18b)-
- (3R,3aR,5aR,5bR,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
- Fern-9(11)-ene
- Fern-9(11)-ene100μg
- Fernene
- C08625
- CHEBI:5016
- DTXSID40331608
- Q27106625
- 1615-99-2
- Fern 9(11)-ene
- Fernen
- Fern-9-ene
-
- Inchi： 1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h14,20-21,23-25H,9-13,15-19H2,1-8H3/t21-,23+,24+,25-,27-,28-,29-,30+/m1/s1
- InChI Key： ZHDRLFGZQZCZKX-BQOUFORSSA-N
- SMILES： [C@@]12(C)CC=C3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@H]3[C@@]1(C)CC[C@]1(C)[C@@H](C(C)C)CC[C@@H]21
Computed Properties
- Exact Mass: 410.39100
- Monoisotopic Mass: 410.391251595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 30
- Rotatable Bond Count: 1
- Complexity: 741
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 9.05400
A'-Neo-26,28-dinorgammacer-9(11)-ene,13,17-dimethyl-, (8a,13a,14b,17a,18b)- Security Information
- Hazardous Material transportation number：UN 1262 3/PG 2
- WGK Germany：1
- Hazard Category Code： 11-38-50/53-65-67
- Safety Instruction： S60
- FLUKA BRAND F CODES：10-23
-
Hazardous Material Identification：
- Safety Term：S60-61-62
- Risk Phrases：R11
A'-Neo-26,28-dinorgammacer-9(11)-ene,13,17-dimethyl-, (8a,13a,14b,17a,18b)- Related Literature
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1. Structures of four new triterpenes from the rhizomes of Polypodium juglandifoliumRamadoss Sunder,K. N. Narayan Ayengar,Srinivasa Rangaswami J. Chem. Soc. Perkin Trans. 1 1976 117
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Xin-Yu Li,Jian-Ming Lv,Zhi-Qin Cao,Gao-Qian Wang,Fu-Long Lin,Guo-Dong Chen,Sheng-Ying Qin,Dan Hu,Hao Gao,Xin-Sheng Yao Org. Biomol. Chem. 2023 21 851
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D. H. R. Barton,A. F. Gosden,G. Mellows,D. A. Widdowson J. Chem. Soc. D 1969 184
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Kazuo Iguchi,Hiroshi Kakisawa J. Chem. Soc. D 1970 1486b
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G. Berti,F. Bottari,A. Marsili,I. Morelli,A. Mandelbaum Chem. Commun. (London) 1967 50
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