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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 > diterpenoid > scabronine h
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > scabronine h

Preferred term

scabronine h  

Type

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

Broader concept

charge

  • 0

formula

  • C27H36O5

inchi

  • InChI=1S/C27H36O5/c1-17(15-28)20-9-10-26(2)11-12-27(3)21(24(20)26)14-22(29)19(13-23(27)30)16-32-25(31)18-7-5-4-6-8-18/h4-8,13,17,21-23,28-30H,9-12,14-16H2,1-3H3/t17-,21+,22-,23-,26+,27+/m0/s1

inchikey

  • QZEMMWXYJUKIBS-GIXUWZPISA-N

mass

  • 440.580

monoisotopicmass

  • 440.25627

smiles

  • O=C(OCC1=C[C@H](O)[C@@]2(CC[C@@]3(C([C@H]2C[C@@H]1O)=C([C@H](CO)C)CC3)C)C)C4=CC=CC=C4

subset

  • 2_STAR

synonym EXACT

  • [(3aR,5aR,6S,9S,10aR)-6,9-dihydroxy-1-[(2R)-1-hydroxypropan-2-yl]-3a,5a-dimethyl-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]inden-8-yl]methyl benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205507

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