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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > ether > benzyl ether > neo-debromoaplysiatoxin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > ether > benzyl ether > neo-debromoaplysiatoxin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > ether > benzyl ether > neo-debromoaplysiatoxin d

Preferred term

neo-debromoaplysiatoxin d  

Type

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

Broader concept

charge

  • 0

formula

  • C32H46O9

inchi

  • InChI=1S/C32H46O9/c1-17(11-12-23(38-7)21-9-8-10-22(34)13-21)29-19(3)25-16-32(41-29)27(28(36)18(2)15-31(32,5)6)30(37)40-24(20(4)33)14-26(35)39-25/h8-10,13,17-20,23-25,27,29,33-34H,11-12,14-16H2,1-7H3/t17-,18-,19-,20+,23-,24+,25-,27+,29+,32-/m0/s1

inchikey

  • XHOPGDMVJMZZMJ-CZGZHJOCSA-N

mass

  • 574.711

monoisotopicmass

  • 574.31418

smiles

  • O=C1O[C@@H]([C@H](O)C)CC(=O)O[C@H]2C[C@@]3([C@@H]1C(=O)[C@H](CC3(C)C)C)O[C@@H]([C@H]2C)[C@H](CC[C@H](OC)C4=CC(O)=CC=C4)C

subset

  • 2_STAR

synonym EXACT

  • (1S,4S,6R,9R,13S,14S,15R)-9-[(1R)-1-hydroxyethyl]-15-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-2,2,4,14-tetramethyl-8,12,16-trioxatricyclo[11.3.1.01,6]heptadecane-5,7,11-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211156

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