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

Preferred term

penicisteroid e  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O5

inchi

  • InChI=1S/C30H48O5/c1-16(2)17(3)8-9-18(4)27-25(35-19(5)31)14-22-26-23(33)13-20-12-21(32)10-11-29(20,6)28(26)24(34)15-30(22,27)7/h8-9,13,16-18,21-28,32-34H,10-12,14-15H2,1-7H3/b9-8+/t17-,18+,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m0/s1

inchikey

  • ZIZQHLXOPLXRBJ-AGBLWHONSA-N

mass

  • 488.709

monoisotopicmass

  • 488.35017

smiles

  • O=C(O[C@@H]1[C@@H]([C@]2(C[C@H](O)[C@H]3[C@H]([C@@H]2C1)[C@@H](O)C=C4C[C@@H](O)CC[C@]34C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,7R,8S,9S,10R,11S,13S,14S,16S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,7,11-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207847

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