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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 > lipid > steroid > ergostanoid > nigerasterol b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > nigerasterol b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > nigerasterol b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > nigerasterol b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > nigerasterol b

Preferred term

nigerasterol b  

Type

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

Broader concept

charge

  • 0

formula

  • C28H42O4

inchi

  • InChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)22-15-23(30)24-21-10-12-27-16-20(29)9-11-26(27,6)28(21,32-31-27)14-13-25(22,24)5/h7-8,10,12,17-20,22-23,29-30H,9,11,13-16H2,1-6H3/b8-7+/t18?,19-,20+,22-,23-,25-,26+,27-,28-/m1/s1

inchikey

  • CUXYDAJPLBLWQO-RKTWKBMCSA-N

mass

  • 442.640

monoisotopicmass

  • 442.30831

smiles

  • O1O[C@]23C=CC=4[C@@]1([C@]3(CC[C@@H](C2)O)C)CC[C@]5(C4[C@H](O)C[C@@H]5[C@@H](/C=C/C(C(C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,6R,8R,9R,12R,13S,16S)-8-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadeca-2,4-diene-6,16-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213412

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