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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 > (5alpha,6beta,15beta,22e)-6-ethoxy-5,15-dihydroxyergosta-7,22-dien-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > (5alpha,6beta,15beta,22e)-6-ethoxy-5,15-dihydroxyergosta-7,22-dien-3-one
... > 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 > (5alpha,6beta,15beta,22e)-6-ethoxy-5,15-dihydroxyergosta-7,22-dien-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > (5alpha,6beta,15beta,22e)-6-ethoxy-5,15-dihydroxyergosta-7,22-dien-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > (5alpha,6beta,15beta,22e)-6-ethoxy-5,15-dihydroxyergosta-7,22-dien-3-one

Preferred term

(5alpha,6beta,15beta,22e)-6-ethoxy-5,15-dihydroxyergosta-7,22-dien-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O4

inchi

  • InChI=1S/C30H48O4/c1-8-34-26-15-22-23(29(7)14-11-21(31)17-30(26,29)33)12-13-28(6)24(16-25(32)27(22)28)20(5)10-9-19(4)18(2)3/h9-10,15,18-20,23-27,32-33H,8,11-14,16-17H2,1-7H3/b10-9+/t19-,20+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1

inchikey

  • FPESVMYWFTWXKH-BLMRKQJBSA-N

mass

  • 472.710

monoisotopicmass

  • 472.35526

smiles

  • O=C1C[C@@]2(O)[C@]([C@@H]3C([C@H]4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)C[C@H]4O)(C)CC3)=C[C@H]2OCC)(C)CC1

subset

  • 2_STAR

synonym EXACT

  • (5R,6R,9S,10R,13R,14R,15R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6-ethoxy-5,15-dihydroxy-10,13-dimethyl-2,4,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213731

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