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(Q104397978)
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English
Epoxyrollin A
group of stereoisomers with the chemical formula C₃₇H₆₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
574.496110592
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₇H₆₆O₄
0 references
canonical SMILES
O=C1OC(C=C1CCCCCCCCCCCCCCC2OC2CCC3OC3CCCCCCCCCCCC)C
0 references
isomeric SMILES
CCCCCCCCCCCCC1OC1CCC1OC1CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O
0 references
found in taxon
Annona neoulei
2 references
stated in
Structural elucidation of five stereoisomeric acetogenins, uleicins A–E, by tandem mass spectrometry
stated in
Structural elucidation of two new acetogenins, epoxyrollins A and B, by tandem mass spectrometry
Identifiers
InChI
InChI=1S/C37H66O4/c1-3-4-5-6-7-8-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h30-31,33-36H,3-29H2,1-2H3/t31-,33?,34?,35?,36?/m0/s1
0 references
InChIKey
OBCKVMRECYITHK-DAKJZYRYSA-N
0 references
PubChem CID
101169510
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OBCKVMRECYITHK-DAKJZYRYSA-N
UniChem compound ID
96967981
1 reference
stated in
UniChem
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