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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

کلسترول بتا دی گلوکوزید  

Type

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

charge

  • 0

formula

  • C33H54O7

inchi

  • InChI=1S/C33H54O7/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-32(20,4)25(22)14-16-33(23,24)5)39-31-28(36)26(34)27(35)29(40-31)30(37)38/h9,18-19,21-29,31,34-36H,6-8,10-17H2,1-5H3,(H,37,38)/t19-,21?,22?,23-,24?,25?,26+,27+,28-,29+,31-,32+,33-/m1/s1

inchikey

  • IJLBJBCDNYOWPJ-POWTZJBQSA-N

mass

  • 562.788

monoisotopicmass

  • 562.38695

smiles

  • O(C1CC=2[C@@](C3C(C4[C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)CC2)(CC1)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6R)-6-[[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177524

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