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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 > 2beta,3beta,12alpha-trihydroxyergosta-7,22-diene
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 2beta,3beta,12alpha-trihydroxyergosta-7,22-diene
... > 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 > 2beta,3beta,12alpha-trihydroxyergosta-7,22-diene
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 2beta,3beta,12alpha-trihydroxyergosta-7,22-diene
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 2beta,3beta,12alpha-trihydroxyergosta-7,22-diene

Preferred term

2beta,3beta,12alpha-trihydroxyergosta-7,22-diene  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O3

inchi

  • InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-11-12-22-20-10-9-19-13-24(29)25(30)15-27(19,5)23(20)14-26(31)28(21,22)6/h7-8,10,16-19,21-26,29-31H,9,11-15H2,1-6H3/t17-,18+,19-,21+,22-,23-,24+,25-,26-,27-,28+/m0/s1

inchikey

  • CUCOHPWAONQECI-QXNDJANTSA-N

mass

  • 430.673

monoisotopicmass

  • 430.34470

smiles

  • O[C@@H]1[C@]2([C@H](C3=CC[C@@H]4[C@@]([C@H]3C1)(C[C@H](O)[C@@H](C4)O)C)CC[C@@H]2[C@@H](C=C[C@@H](C(C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,5S,9R,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216495

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