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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 > fern-9(11)-en-3,19-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > fern-9(11)-en-3,19-dione

Preferred term

fern-9(11)-en-3,19-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O2

inchi

  • InChI=1S/C30H46O2/c1-18(2)21-17-22(31)25-28(21,6)15-16-29(7)20-9-10-23-26(3,4)24(32)12-13-27(23,5)19(20)11-14-30(25,29)8/h11,18,20-21,23,25H,9-10,12-17H2,1-8H3/t20-,21+,23-,25+,27+,28+,29+,30-/m0/s1

inchikey

  • MOKIXNUQEWEPPU-IJKLQHKJSA-N

mass

  • 438.696

monoisotopicmass

  • 438.34978

smiles

  • O=C1C([C@H]2[C@](C3=CC[C@]4([C@@H]5C(=O)C[C@@H]([C@@]5(C)CC[C@@]4([C@H]3CC2)C)C(C)C)C)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,3aR,5aR,5bR,7aR,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,7a,10,11,13,13b-dodecahydrocyclopenta[a]chrysene-1,9-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200740

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