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Chemistry, part 1

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > 3beta-[(o-beta-d-glucopyranosyl-(1->4)-o-beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-(2-o-3,4,5-trimethoxybenzoyl-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyl)oxy]cholest-5-en-22-one
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 3beta-[(o-beta-d-glucopyranosyl-(1->4)-o-beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-(2-o-3,4,5-trimethoxybenzoyl-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyl)oxy]cholest-5-en-22-one
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > 3beta-[(o-beta-d-glucopyranosyl-(1->4)-o-beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-(2-o-3,4,5-trimethoxybenzoyl-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyl)oxy]cholest-5-en-22-one
organooxygen compound > ester > carboxylic ester > acetate ester > 3beta-[(o-beta-d-glucopyranosyl-(1->4)-o-beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-(2-o-3,4,5-trimethoxybenzoyl-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyl)oxy]cholest-5-en-22-one
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > 3beta-[(o-beta-d-glucopyranosyl-(1->4)-o-beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-(2-o-3,4,5-trimethoxybenzoyl-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyl)oxy]cholest-5-en-22-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > cholestanoid > 3beta-[(o-beta-d-glucopyranosyl-(1->4)-o-beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-(2-o-3,4,5-trimethoxybenzoyl-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyl)oxy]cholest-5-en-22-one

Preferred term

3beta-[(o-beta-d-glucopyranosyl-(1->4)-o-beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(o-(2-o-3,4,5-trimethoxybenzoyl-beta-d-xylopyranosyl)-(1->3)-2-o-acetyl-alpha-l-arabinopyranosyl)oxy]cholest-5-en-22-one  

Type

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

Broader concept

charge

  • 0

formula

  • C67H102O32

has_functional_parent

has_role

inchi

  • InChI=1S/C67H102O32/c1-27(2)10-13-36(71)28(3)67(84)44(96-64-58(91-29(4)70)54(38(73)25-89-64)98-63-57(45(74)37(72)24-88-63)97-59(83)30-18-39(85-7)55(87-9)40(19-30)86-8)21-35-33-12-11-31-20-32(14-16-65(31,5)34(33)15-17-66(35,67)6)92-61-51(80)49(78)47(76)43(95-61)26-90-60-53(82)50(79)56(42(23-69)94-60)99-62-52(81)48(77)46(75)41(22-68)93-62/h11,18-19,27-28,32-35,37-38,41-54,56-58,60-64,68-69,72-82,84H,10,12-17,20-26H2,1-9H3/t28-,32-,33+,34-,35-,37+,38-,41+,42+,43+,44-,45-,46+,47+,48-,49-,50+,51+,52+,53+,54-,56+,57+,58+,60+,61+,62-,63-,64-,65-,66-,67+/m0/s1

inchikey

  • DZODFGYFSRVIOW-BVIHRYROSA-N

mass

  • 1419.50760

monoisotopicmass

  • 1418.63542

smiles

  • [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](O[C@H]3CC[C@@]4(C)C(C3)=CC[C@]3([H])[C@]4([H])CC[C@@]4(C)[C@@]3([H])C[C@H](O[C@@H]3OC[C@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5OC(=O)c5cc(OC)c(OC)c(OC)c5)[C@H]3OC(C)=O)[C@]4(O)[C@@H](C)C(=O)CCC(C)C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O

subset

  • 3_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65626

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