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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,7beta,15beta-trihydroxy-11, 23-dioxo-lanost-8,16-dien-26-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3beta,7beta,15beta-trihydroxy-11, 23-dioxo-lanost-8,16-dien-26-oic acid

Preferred term

3beta,7beta,15beta-trihydroxy-11, 23-dioxo-lanost-8,16-dien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O7

inchi

  • InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h12,15-16,19,21-23,32,34-35H,8-11,13-14H2,1-7H3,(H,36,37)/t15-,16?,19+,21+,22+,23-,28+,29-,30+/m1/s1

inchikey

  • LDARGZHEYGQTJX-RYFQOAETSA-N

mass

  • 516.675

monoisotopicmass

  • 516.30870

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (6R)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15-octahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220741

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