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Chemistry, part 2

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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 > lipid > steroid > steroid saponin > 5alpha,8alpha-epidioxy-24(r)-methylcholesta-6,22-dien-3beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > 5alpha,8alpha-epidioxy-24(r)-methylcholesta-6,22-dien-3beta-d-glucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > 5alpha,8alpha-epidioxy-24(r)-methylcholesta-6,22-dien-3beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > 5alpha,8alpha-epidioxy-24(r)-methylcholesta-6,22-dien-3beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid saponin > 5alpha,8alpha-epidioxy-24(r)-methylcholesta-6,22-dien-3beta-d-glucopyranoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > steroid saponin > 5alpha,8alpha-epidioxy-24(r)-methylcholesta-6,22-dien-3beta-d-glucopyranoside

Preferred term

5alpha,8alpha-epidioxy-24(r)-methylcholesta-6,22-dien-3beta-d-glucopyranoside  

Type

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

Broader concept

charge

  • 0

formula

  • C34H54O8

inchi

  • InChI=1S/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23+,24?,25?,26?,27?,28?,29?,30?,31+,32+,33-,34+/m0/s1

inchikey

  • CKJZKFPVVUQBMB-AOHVSNAWSA-N

mass

  • 590.798

monoisotopicmass

  • 590.38187

smiles

  • O1O[C@]23C=C[C@@]14C(CC[C@]5(C4CC[C@@H]5[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@]2(CC[C@@H](C3)OC6OC(C(O)C(C6O)O)CO)C

subset

  • 2_STAR

synonym EXACT

  • 2-[[(1R,5R,6R,10R,13S,15R)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203393

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