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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 > 7beta-hydroxy-3,11,15,23-tetraoxolanosta-8,20e(22)-dien-26-oic acid methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 7beta-hydroxy-3,11,15,23-tetraoxolanosta-8,20e(22)-dien-26-oic acid methyl ester

Preferred term

7beta-hydroxy-3,11,15,23-tetraoxolanosta-8,20e(22)-dien-26-oic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C31H42O7

inchi

  • InChI=1S/C31H42O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h11,17,19-20,22,33H,9-10,12-15H2,1-8H3/b16-11+/t17?,19-,20+,22+,29+,30-,31+/m0/s1

inchikey

  • LPWWIRLWNQPIDU-KOIRHOSXSA-N

mass

  • 526.670

monoisotopicmass

  • 526.29305

smiles

  • O=C1C2=C([C@]3(C(=O)C[C@H]([C@@]3(C1)C)/C(=C/C(=O)CC(C(=O)OC)C)/C)C)[C@H](O)C[C@H]4[C@]2(CCC(C4(C)C)=O)C

subset

  • 2_STAR

synonym EXACT

  • methyl (E)-6-[(5S,7R,10R,13S,14S,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206677

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