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

Preferred term

inonotusol e  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O5

inchi

  • InChI=1S/C30H48O5/c1-26(2)21-14-19(31)24-23(28(21,5)12-11-22(26)33)20(32)15-30(7)17(10-13-29(24,30)6)16-8-9-18(25(16)34)27(3,4)35/h16-18,20-22,25,32-35H,8-15H2,1-7H3/t16-,17+,18-,20-,21?,22-,25+,28+,29+,30-/m1/s1

inchikey

  • NCMHHGGEBVBXDI-HYSNDPNRSA-N

mass

  • 488.709

monoisotopicmass

  • 488.35017

smiles

  • O=C1C2=C([C@]3(CC[C@H](C(C3C1)(C)C)O)C)[C@H](O)C[C@]4([C@]2(CC[C@H]4[C@@H]5[C@H](O)[C@H](C(O)(C)C)CC5)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,10S,11R,13R,14R,17S)-3,11-dihydroxy-17-[(1R,2S,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203570

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