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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 > ergostanoid > penicillisterol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > penicillisterol
... > 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 > penicillisterol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > penicillisterol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > penicillisterol

Preferred term

penicillisterol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H44O5

inchi

  • InChI=1S/C28H44O5/c1-15(2)16(3)7-8-17(4)20-13-21(30)23-22-19(10-11-26(20,23)5)27(6)12-9-18(29)14-28(27,33)25(32)24(22)31/h7-8,15-18,20,23-25,29,31-33H,9-14H2,1-6H3/b8-7+/t16-,17+,18-,20+,23+,24+,25-,26+,27+,28+/m0/s1

inchikey

  • AEPBPCUNWNUUEC-MYCNGJHXSA-N

mass

  • 460.655

monoisotopicmass

  • 460.31887

smiles

  • O=C1[C@@H]2C3=C([C@@]4([C@@](O)(C[C@@H](O)CC4)[C@H]([C@@H]3O)O)C)CC[C@]2(C)[C@H](C1)[C@@H](/C=C/[C@@H](C(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5S,6S,7R,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5,6,7-tetrahydroxy-10,13-dimethyl-2,3,4,6,7,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthren-15-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199340

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