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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 > (25r)-5alpha,8alpha-epidioxy-24r,26-cyclo-cholest-6,22e-dien-3beta-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > (25r)-5alpha,8alpha-epidioxy-24r,26-cyclo-cholest-6,22e-dien-3beta-ol
... > 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 > (25r)-5alpha,8alpha-epidioxy-24r,26-cyclo-cholest-6,22e-dien-3beta-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > (25r)-5alpha,8alpha-epidioxy-24r,26-cyclo-cholest-6,22e-dien-3beta-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > (25r)-5alpha,8alpha-epidioxy-24r,26-cyclo-cholest-6,22e-dien-3beta-ol

Preferred term

(25r)-5alpha,8alpha-epidioxy-24r,26-cyclo-cholest-6,22e-dien-3beta-ol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40O3

inchi

  • InChI=1S/C27H40O3/c1-17(5-6-19-15-18(19)2)21-7-8-22-24(21,3)11-10-23-25(4)12-9-20(28)16-26(25)13-14-27(22,23)30-29-26/h5-6,13-14,17-23,28H,7-12,15-16H2,1-4H3/b6-5+/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m1/s1

inchikey

  • ACIGRLRKXLVDFE-PKTBXMBNSA-N

mass

  • 412.614

monoisotopicmass

  • 412.29775

smiles

  • O1O[C@]23[C@@]([C@@]4([C@@]1([C@]5([C@@]([C@](CC5)([C@H](C)/C=C/[C@H]6[C@@H](C6)C)[H])(CC4)C)[H])C=C2)[H])(CC[C@H](O)C3)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(E,2R)-4-[(1R,2R)-2-methylcyclopropyl]but-3-en-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187563

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