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CHEBI:217850 - Betaestacin Vc

ChEBI IDCHEBI:217850
ChEBI NameBetaestacin Vc
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FormulaC25H38O4
Net Charge0
Average Mass402.575
Monoisotopic Mass402.27701
SMILESC=C1C/C=C2\[C@@H](CC[C@@]2(C)O)/C(C)=C\C[C@@H]2[C@H]([C@H](C)C(=O)O)CC[C@@]2(C)C[C@H]1O
InChIInChI=1S/C25H38O4/c1-15-6-8-20-19(17(3)23(27)28)10-12-24(20,4)14-22(26)16(2)7-9-21-18(15)11-13-25(21,5)29/h6,9,17-20,22,26,29H,2,7-8,10-14H2,1,3-5H3,(H,27,28)/b15-6-,21-9+/t17-,18-,19-,20+,22+,24-,25+/m0/s1
InChIKeyHCAOJXUQKAQJMU-VGHIFKNYSA-N
ChEBI Ontology
Outgoing Relation(s)
Betaestacin Vc (CHEBI:217850) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2S)-2-[(1S,2Z,5R,6R,9S,11R,14Z,16R)-11,16-dihydroxy-2,9,16-trimethyl-12-methylidene-6-tricyclo[13.3.0.05,9]octadeca-2,14-dienyl]propanoic acid
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