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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 > sesquiterpenoid > citreospirosteroid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > citreospirosteroid

Preferred term

citreospirosteroid  

Type

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

Broader concept

charge

  • 0

formula

  • C28H44O4

inchi

  • InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)22-10-9-20-13-27(16-25(20,22)5)23(15-29)28(32)14-21(30)11-12-26(28,6)24(27)31/h7-8,15,17-23,30,32H,9-14,16H2,1-6H3/b8-7+/t18?,19-,20?,21+,22-,23-,25+,26-,27+,28-/m1/s1

inchikey

  • FGACGNLWEYMSOL-OZZCTWPFSA-N

mass

  • 444.656

monoisotopicmass

  • 444.32396

smiles

  • O=C1[C@]2([C@@H](C=O)[C@]3([C@@]1(CC[C@@H](C3)O)C)O)C[C@@]4([C@@H]([C@@H](/C=C/C(C(C)C)C)C)CCC4C2)C

subset

  • 2_STAR

synonym EXACT

  • (1R,1'R,3'aS,5S,6'S,6aS,7'aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-6',7'a-dihydroxy-3'a,6a-dimethyl-3'-oxospiro[1,2,3,3a,4,6-hexahydropentalene-5,2'-4,5,6,7-tetrahydro-1H-indene]-1'-carbaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211632

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