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Chemistry, part 2

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
organooxygen compound > ester > lactone > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
organooxygen compound > oxacycle > lactone > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > 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 heterocyclic compound > oxacycle > lactone > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > 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 lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid lactone > (2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide

Preferred term

(2beta,3beta,5beta)-2,3-diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide  

Type

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

Broader concept

charge

  • 0

formula

  • C28H36O9

has_functional_parent

inchi

  • InChI=1S/C28H36O9/c1-16(30)36-22-12-26(15-29)20-6-9-25(3)19(18-4-5-24(32)35-14-18)8-11-28(25,34)21(20)7-10-27(26,33)13-23(22)37-17(2)31/h4-5,14-15,19-23,33-34H,6-13H2,1-3H3/t19-,20+,21-,22+,23-,25-,26+,27+,28+/m1/s1

inchikey

  • XPBNKMICKOYQJO-GYLVSBEASA-N

mass

  • 516.587

monoisotopicmass

  • 516.23593

smiles

  • C1[C@@H]([C@@H](C[C@@]2([C@]1([C@@H]3[C@@H](CC2)[C@]4(CC[C@@H]([C@]4(CC3)C)C5=COC(C=C5)=O)O)C=O)O)OC(=O)C)OC(=O)C

subset

  • 2_STAR

synonym EXACT

  • (2beta,3beta,5beta)-2,3-Diacetoxy-5,14-dihydroxy-19-oxobufa-20,22-dienolide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229934

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