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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

beta-isorenieratene  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C40H52

inchi

  • InChI=1S/C40H52/c1-30(18-13-20-32(3)23-27-38-35(6)26-25-34(5)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-36(7)22-15-29-40(39,9)10/h11-14,16-21,23-28H,15,22,29H2,1-10H3/b12-11+,18-13+,19-14+,27-23+,28-24+,30-16+,31-17+,32-20+,33-21+

inchikey

  • NMMZEYGYFYIADS-FOHJNKRASA-N

mass

  • 532.84090

monoisotopicmass

  • 532.40690

smiles

  • CC(/C=C/C=C(C)/C=C/c1c(C)ccc(C)c1C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80461

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