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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,15alpha,28-tetrahydroxy-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,15alpha,28-tetrahydroxy-11,23-dioxo-lanost-8,16-dien-26-oic acid

Preferred term

3beta,7beta,15alpha,28-tetrahydroxy-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

  • C30H44O8

inchi

  • InChI=1S/C30H44O8/c1-15(9-17(32)10-16(2)26(37)38)18-11-23(36)30(6)25-19(33)12-21-27(3,8-7-22(35)28(21,4)14-31)24(25)20(34)13-29(18,30)5/h11,15-16,19,21-23,31,33,35-36H,7-10,12-14H2,1-6H3,(H,37,38)/t15-,16?,19+,21-,22+,23+,27+,28+,29-,30+/m1/s1

inchikey

  • BXIBUGHMPIBQEK-GFPVCCEUSA-N

mass

  • 532.674

monoisotopicmass

  • 532.30362

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]([C@]4(CO)C)O)C

subset

  • 2_STAR

synonym EXACT

  • (6R)-2-methyl-4-oxo-6-[(3S,4R,5R,7S,10S,13R,14R,15S)-3,7,15-trihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-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:202888

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