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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 > 3beta,15beta-dihydroxy-7,11,23-trioxo-lanost-8,16-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 > 3beta,15beta-dihydroxy-7,11,23-trioxo-lanost-8,16-dien-26-oic acid methyl ester

Preferred term

3beta,15beta-dihydroxy-7,11,23-trioxo-lanost-8,16-dien-26-oic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C31H44O7

inchi

  • InChI=1S/C31H44O7/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/h13,16-17,22-24,35-36H,9-12,14-15H2,1-8H3/t16-,17?,22+,23+,24-,29+,30-,31+/m1/s1

inchikey

  • BWNCYMXQUKSKSJ-GTRNXXKXSA-N

mass

  • 528.686

monoisotopicmass

  • 528.30870

smiles

  • O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4([C@H](O)C=C([C@]4(C1)C)[C@@H](CC(=O)CC(C(=O)OC)C)C)C

subset

  • 2_STAR

synonym EXACT

  • methyl (6R)-6-[(3S,5R,10S,13R,14R,15R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213437

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