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CHEBI:215033 - Berkleasmin B

ChEBI IDCHEBI:215033
ChEBI NameBerkleasmin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O7
Net Charge0
Average Mass518.691
Monoisotopic Mass518.32435
SMILESC=C(C=O)[C@@H]1C[C@]2(C)[C@@H](C)CC[C@@H](OC(=O)[C@H](C)[C@H](O)/C(C)=C/C(CO)CCCCCC)[C@]23O[C@@H]3C1=O
InChIInChI=1S/C30H46O7/c1-7-8-9-10-11-22(17-32)14-18(2)25(33)21(5)28(35)36-24-13-12-20(4)29(6)15-23(19(3)16-31)26(34)27-30(24,29)37-27/h14,16,20-25,27,32-33H,3,7-13,15,17H2,1-2,4-6H3/b18-14+/t20-,21+,22?,23-,24+,25+,27+,29+,30+/m0/s1
InChIKeyVXSWBXLZHSTLGB-YHJSBQMQSA-N
Species of MetaboliteComponentSourceComments
Berkleasmium (ncbitaxon:358867) - DOI (10.1016/j.tet.2009.08.077)
ChEBI Ontology
Outgoing Relation(s)
Berkleasmin B (CHEBI:215033) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(1aS,3S,4aR,5S,8R,8aR)-4a,5-dimethyl-2-oxo-3-(3-oxoprop-1-en-2-yl)-3,4,5,6,7,8-hexahydro-1aH-naphtho[8,8a-b]oxiren-8-yl] (E,2R,3S)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate
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