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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > steroid ester > 6alpha-hydroxyandrastin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid ester > 6alpha-hydroxyandrastin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > 6alpha-hydroxyandrastin 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 > steroid ester > 6alpha-hydroxyandrastin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > 6alpha-hydroxyandrastin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid ester > 6alpha-hydroxyandrastin b

Preferred term

6alpha-hydroxyandrastin b  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O8

inchi

  • InChI=1S/C28H40O8/c1-14-11-18-25(6,28(23(34)35-8)22(33)15(2)21(32)26(14,28)7)12-17(31)20-24(4,5)19(36-16(3)30)9-10-27(18,20)13-29/h11,17-20,29,31-32H,9-10,12-13H2,1-8H3/t17-,18+,19-,20+,25-,26-,27+,28+/m0/s1

inchikey

  • HYPKWVDZWILGKP-HGKJICHQSA-N

mass

  • 504.620

monoisotopicmass

  • 504.27232

smiles

  • O=C1C(=C(O)[C@]2([C@]1(C(=O)OC)[C@@]3([C@@H](C=C2C)[C@]4([C@@H](C([C@@H](OC(=O)C)CC4)(C)C)[C@H](C3)O)CO)C)C)C

subset

  • 2_STAR

synonym EXACT

  • methyl (3S,5S,6S,8S,9R,10R,13R,14R)-3-acetyloxy-6,17-dihydroxy-10-(hydroxymethyl)-4,4,8,12,13,16-hexamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216191

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