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(Q105339552)
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English
cymarin
group of stereoisomers with the chemical formula C₃₀H₄₄O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
mass
548.298532988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₄O₉
0 references
canonical SMILES
O=CC12CCC(OC3OC(C)C(O)C(OC)C3)CC2(O)CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O
0 references
found in taxon
Castilla elastica
1 reference
stated in
Die Cardenolide vonCastilla elastica CERV. Glykoside und Aglykone, 222. Mitteilung
Apocynum cannabinum
2 references
stated in
Die Glykoside der Rhizome von Apocynum cannabinum L. 3. Mitteilung. Glykoside und Aglykone, 208. Mitteilung
stated in
Über Cymarin, den wirksamen Bestandteil aus Apocynum cannabinum
Strophanthus hispidus
1 reference
stated in
Die Glykoside der Samen von Strophanthus hispidusP. DC. 1. Mitteilung. Glykoside und Aglykone, 62. Mitteilung
Identifiers
InChI
InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3
0 references
InChIKey
XQCGNURMLWFQJR-UHFFFAOYSA-N
0 references
PubChem CID
539061
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XQCGNURMLWFQJR-UHFFFAOYSA-N
UniChem compound ID
65983
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Univ_Connecticut-CO000111
1 reference
InChIKey
XQCGNURMLWFQJR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Univ_Connecticut-CO000112
1 reference
InChIKey
XQCGNURMLWFQJR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Univ_Connecticut-CO000113
1 reference
InChIKey
XQCGNURMLWFQJR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Univ_Connecticut-CO000114
1 reference
InChIKey
XQCGNURMLWFQJR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Univ_Connecticut-CO000115
1 reference
InChIKey
XQCGNURMLWFQJR-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Probes And Drugs ID
PD075122
0 references
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