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Chemistry, part 2

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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 > rofficerone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > rofficerone

Preferred term

rofficerone  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O2

inchi

  • InChI=1S/C30H48O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h9,19,21-22,24,32H,10-18H2,1-8H3/t19-,21+,22-,24+,26+,27+,28-,29-,30+/m1/s1

inchikey

  • JGOGEYGCWRVPQA-WLMZGXBPSA-N

mass

  • 440.712

monoisotopicmass

  • 440.36543

smiles

  • O[C@@]1([C@@H]([C@]2(C=3[C@]([C@]4([C@@]([C@@]5([C@@](CC4)(C(C(=O)CC5)(C)C)[H])C)(CC3)[H])C)(CC[C@]2(CC1)C)C)[H])C)C

subset

  • 2_STAR

synonym EXACT

  • (4aR,6aR,6bS,8aS,11S,12R,12aR,14aR,14bR)-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168022

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