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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 > sesquiterpenoid > eringiacetal a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > eringiacetal a

Preferred term

eringiacetal a  

Type

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

Broader concept

charge

  • 0

formula

  • C29H44O4

inchi

  • InChI=1S/C29H44O4/c1-17(2)18(3)8-9-19(4)21-10-11-22-23-27(7)24-31-28(23,15-14-25(21,22)5)26(6)13-12-20(30)16-29(26,32-24)33-27/h8-9,17-21,24,30H,10-16H2,1-7H3/b9-8+/t18-,19+,20-,21+,24?,25+,26+,27+,28+,29-/m0/s1

inchikey

  • AILAUDQCPFZJDH-DVFXPGKDSA-N

mass

  • 456.667

monoisotopicmass

  • 456.32396

smiles

  • O1[C@]23OC4[C@]1(C5=C6[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC6)(C)CC[C@@]5([C@]2(CC[C@@H](C3)O)C)O4)C

subset

  • 2_STAR

synonym EXACT

  • (1R,4R,5R,10R,13R,15S,18R)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-4,10,18-trimethyl-12,19,20-trioxahexacyclo[9.7.1.110,13.01,9.04,8.013,18]icos-8-en-15-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202419

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