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

Preferred term

porilactone b  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O3

inchi

  • InChI=1S/C30H44O3/c1-18(2)16-19-17-20(26(32)33-19)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,11,16,19-21,24-25,31H,9-10,12-15,17H2,1-7H3/t19-,20-,21-,24+,25+,28-,29-,30+/m1/s1

inchikey

  • XPCXNKAMKIVLJC-YCMYPXEBSA-N

mass

  • 452.679

monoisotopicmass

  • 452.32905

smiles

  • O=C1O[C@H](C=C(C)C)C[C@@H]1[C@@H]2[C@@]3([C@@](C=4C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)=CC3)(C)CC2)C

subset

  • 2_STAR

synonym EXACT

  • (3R,5S)-3-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206811

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