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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 > androstanoid > 3,5-cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > androstanoid > 3,5-cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol
... > 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 > androstanoid > 3,5-cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > androstanoid > 3,5-cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > androstanoid > 3,5-cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol

Preferred term

3,5-cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30O2

inchi

  • InChI=1S/C21H30O2/c1-4-20(23)10-7-15-14-11-17(22)21-12-13(21)5-8-19(21,3)16(14)6-9-18(15,20)2/h1,13-17,22-23H,5-12H2,2-3H3/t13?,14-,15-,16-,17+,18-,19+,20-,21?/m0/s1

inchikey

  • WKAFEMWJRKMDQQ-QRNXFCNESA-N

mass

  • 314.46170

monoisotopicmass

  • 314.22458

smiles

  • C[C@]12CCC3CC13[C@H](O)C[C@H]1[C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC[C@H]21

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79965

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