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CHEBI:217844 - Betaestacin Vb

ChEBI IDCHEBI:217844
ChEBI NameBetaestacin Vb
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FormulaC25H40O5
Net Charge0
Average Mass420.590
Monoisotopic Mass420.28757
SMILESC/C1=C/C[C@@H]2[C@H]([C@H](C)C(=O)O)CC[C@@]2(C)C[C@@H](O)[C@@](C)(O)C/C=C2\[C@H]1CC[C@@]2(C)O
InChIInChI=1S/C25H40O5/c1-15-6-7-19-18(16(2)22(27)28)8-11-23(19,3)14-21(26)25(5,30)13-10-20-17(15)9-12-24(20,4)29/h6,10,16-19,21,26,29-30H,7-9,11-14H2,1-5H3,(H,27,28)/b15-6-,20-10+/t16-,17-,18-,19+,21+,23-,24+,25-/m0/s1
InChIKeyBKGYJGMVRKCUQI-GNISQIFWSA-N
ChEBI Ontology
Outgoing Relation(s)
Betaestacin Vb (CHEBI:217844) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2S)-2-[(1S,2Z,5R,6R,9S,11R,12S,14Z,16R)-11,12,16-trihydroxy-2,9,12,16-tetramethyl-6-tricyclo[13.3.0.05,9]octadeca-2,14-dienyl]propanoic acid
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