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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 > lipid > steroid > ergostanoid > 5a,8a-epidioxyergosta-6,9(11),22-trien-3
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 5a,8a-epidioxyergosta-6,9(11),22-trien-3
... > 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 > 5a,8a-epidioxyergosta-6,9(11),22-trien-3
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 5a,8a-epidioxyergosta-6,9(11),22-trien-3
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 5a,8a-epidioxyergosta-6,9(11),22-trien-3

Preferred term

5a,8a-epidioxyergosta-6,9(11),22-trien-3  

Type

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

Broader concept

charge

  • 0

formula

  • C28H42O3

inchi

  • InChI=1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27+,28-/m0/s1

inchikey

  • FWPYIYVSYQRISA-LEOBWYFPSA-N

mass

  • 426.641

monoisotopicmass

  • 426.31340

smiles

  • O1O[C@@]23C=C[C@]14C(=CC[C@]5([C@H]4CC[C@@H]5[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@]2(CC[C@@H](C3)O)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206746

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