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Chemistry, part 1

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 > organic hydroxy compound > alcohol > tertiary alcohol > tasumatrol f
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > tasumatrol f
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > tasumatrol f
organooxygen compound > ester > carboxylic ester > benzoate ester > tasumatrol f
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > tasumatrol f
organooxygen compound > ester > carboxylic ester > acetate ester > tasumatrol f
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > tasumatrol f

Preferred term

tasumatrol f  

Type

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

Broader concept

charge

  • 0

formula

  • C33H44O12

has_role

inchi

  • InChI=1S/C33H44O12/c1-16-22(37)14-33(31(5,6)41)25(16)27(38)29(45-30(40)20-11-9-8-10-12-20)32(7)24(44-19(4)36)13-23(43-18(3)35)21(15-42-17(2)34)26(32)28(33)39/h8-12,21-24,26-29,37-39,41H,13-15H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,32-,33+/m1/s1

inchikey

  • WYKZKHDIJKKRNQ-VEHPFIPQSA-N

mass

  • 632.69530

monoisotopicmass

  • 632.28328

smiles

  • [H][C@@]12[C@H](COC(C)=O)[C@H](C[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](O)C1=C(C)[C@@H](O)C[C@]1([C@H]2O)C(C)(C)O)OC(C)=O

subset

  • 3_STAR

synonym EXACT

  • (2S,3aS,4S,4aR,5R,6S,8S,8aS,9R,10R)-6,8-bis(acetyloxy)-5-[(acetyloxy)methyl]-2,4,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,10-dodecahydrobenzo[f]azulen-9-yl benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66195

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