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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 > limonoid > protoxylocarpin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > limonoid > protoxylocarpin a

Preferred term

protoxylocarpin a  

Type

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

Broader concept

charge

  • 0

formula

  • C32H50O6

has_role

inchi

  • InChI=1S/C32H50O6/c1-9-37-27-18(16-20(38-27)26(35)29(4,5)36)19-10-11-21-30(19,6)14-12-22-31(7)15-13-24(33)28(2,3)23(31)17-25(34)32(21,22)8/h11,13,15,18-20,22-23,25-27,34-36H,9-10,12,14,16-17H2,1-8H3/t18-,19-,20+,22+,23-,25+,26+,27+,30-,31+,32-/m0/s1

inchikey

  • SXUJYCUCLFTRKW-CPFPZXGTSA-N

mass

  • 530.73580

monoisotopicmass

  • 530.36074

smiles

  • [H][C@@]1(C[C@]([H])([C@H](OCC)O1)[C@]1([H])CC=C2[C@@]1(C)CC[C@@]1([H])[C@@]2(C)[C@H](O)C[C@@]2([H])C(C)(C)C(=O)C=C[C@]12C)[C@@H](O)C(C)(C)O

subset

  • 2_STAR

synonym RELATED

  • (5R,7R,8R,9R,10R,13S,17S)-17-((2R,3S,5R)-5-((1R)-1,2-dihydroxy-2-methylpropyl)-2-ethoxytetrahydrofuran-3-yl)-4,5,6,7,8,9,10,11,12,13,16,17-dodecahydro-7-hydroxy-4,4,8,10,13-pentamethyl-3H-cyclopenta[a]phenanthren-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66780

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