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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 > isoprenoid > terpenoid > triterpenoid > stereinone b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > stereinone b

Preferred term

stereinone b  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O4

inchi

  • InChI=1S/C30H46O4/c1-19(10-9-15-26(2,3)34-33)20-13-17-29(7)21-11-12-23-27(4,5)24(31)14-16-28(23,6)22(21)18-25(32)30(20,29)8/h9,15,19-20,23,33H,10-14,16-18H2,1-8H3/b15-9+/t19-,20-,23+,28-,29+,30+/m1/s1

inchikey

  • UCAWHZRGCBFVGU-HNIPKULCSA-N

mass

  • 470.694

monoisotopicmass

  • 470.33961

smiles

  • O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](C/C=C/C(OO)(C)C)C)CC4)(C)C(C3)=O)C)CC2)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

  • (5R,10S,13R,14S,17R)-17-[(E,2R)-6-hydroperoxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,7,11,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,12-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217522

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