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CHEBI:225787 - Coprinacin B

Default Structure
ChEBI IDCHEBI:225787
ChEBI NameCoprinacin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O10
Net Charge0
Average Mass674.872
Monoisotopic Mass674.40300
SMILESCC(=O)O[C@H]1C[C@]2(CO)[C@@H]([C@H](C)[C@H](CC=C(C)C)OC(C)=O)[C@@H](O)C[C@@]2(C)C2=C1[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]2OC(C)=O
InChIInChI=1S/C38H58O10/c1-20(2)12-13-27(45-22(4)40)21(3)32-26(44)17-37(11)34-28(46-23(5)41)16-30-35(8,9)31(48-25(7)43)14-15-36(30,10)33(34)29(47-24(6)42)18-38(32,37)19-39/h12,21,26-32,39,44H,13-19H2,1-11H3/t21-,26+,27+,28-,29+,30+,31+,32+,36+,37+,38+/m1/s1
InChIKeyAPSZJCDRKANCQP-QDDXXPMJSA-N
Species of MetaboliteComponentSourceComments
Coprinopsis cinerea (ncbitaxon:5346) - DOI (10.1002/hlca.201100312)
ChEBI Ontology
Outgoing Relation(s)
Coprinacin B (CHEBI:225787) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,5R,7R,10S,11S,13S,14R,16S,17R)-7,11-diacetyloxy-17-[(2S,3S)-3-acetyloxy-6-methylhept-5-en-2-yl]-16-hydroxy-13-(hydroxymethyl)-4,4,10,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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78441431ChemSpider