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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > 5alpha,8alpha-peroxydehydrotumulosic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 5alpha,8alpha-peroxydehydrotumulosic acid

Preferred term

5alpha,8alpha-peroxydehydrotumulosic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O6

inchi

  • InChI=1S/C31H46O6/c1-18(2)19(3)9-10-20(25(34)35)24-21(32)17-29(8)28(24,7)13-11-22-27(6)14-12-23(33)26(4,5)31(27)16-15-30(22,29)36-37-31/h11,15-16,18,20-21,23-24,32-33H,3,9-10,12-14,17H2,1-2,4-8H3,(H,34,35)/t20-,21-,23+,24+,27-,28-,29-,30-,31-/m1/s1

inchikey

  • NWPSXIIQUKYLPR-WEBPQRFCSA-N

mass

  • 514.703

monoisotopicmass

  • 514.32944

smiles

  • O=C(O)[C@@H]([C@@H]1[C@@]2([C@@]([C@]34OO[C@@]5(C([C@@H](O)CC[C@@]5(C3=CC2)C)(C)C)C=C4)(C)C[C@H]1O)C)CCC(=C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(1S,2R,4R,5R,6R,10R,13S,15S)-4,13-dihydroxy-2,6,10,14,14-pentamethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-5-yl]-6-methyl-5-methylideneheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208771

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