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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 > hs-c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > hs-c

Preferred term

hs-c  

Type

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

Broader concept

charge

  • 0

formula

  • C38H58O10

inchi

  • InChI=1S/C38H58O10/c1-20(39)45-31-25(46-30(43)19-35(6,44)18-29(41)42)17-36(7)24-16-27(40)38(9)22(21-10-13-28-34(4,5)48-32(21)47-28)14-15-37(38,8)23(24)11-12-26(36)33(31,2)3/h21-22,25-28,31-32,40,44H,10-19H2,1-9H3,(H,41,42)/t21?,22-,25-,26?,27+,28+,31+,32+,35?,36-,37+,38+/m1/s1

inchikey

  • KLBORFZHMCIDPM-XRFYSVSASA-N

mass

  • 674.872

monoisotopicmass

  • 674.40300

smiles

  • O=C(O[C@H]1[C@H](OC(=O)C)C(C2CCC3=C([C@]2(C1)C)C[C@H](O)[C@]4([C@]3(CC[C@@H]4C5[C@@H]6OC(C)(C)[C@@H](O6)CC5)C)C)(C)C)CC(O)(CC(=O)O)C

subset

  • 2_STAR

synonym EXACT

  • 5-[[(2R,3R,10S,12S,13R,14S,17R)-3-acetyloxy-17-[(1S,5S)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224883

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