CHEBI:189070 - betaestacin I

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name betaestacin I
ChEBI ID CHEBI:189070
Definition A sesterterpene.
Stars This entity has been manually annotated by a third party.
Submitter Tereza Calounova
Supplier Information
Download Molfile XML SDF
Formula C25H40
Net Charge 0
Average Mass 340.595
Monoisotopic Mass 340.31300
InChI InChI=1S/C25H40/c1-17(2)21-14-16-25(6)15-13-18(3)7-10-22-19(4)8-11-23(22)20(5)9-12-24(21)25/h9-10,13,17,19,21,23-24H,7-8,11-12,14-16H2,1-6H3/b18-13+,20-9-,22-10+/t19-,21-,23-,24+,25+/m0/s1
InChIKey RGXPVTCXXHGAHK-BTWAHAJOSA-N
SMILES C12=CCC(=CC[C@]3([C@](CC=C([C@@]1(CC[C@@H]2C)[H])C)([C@@H](CC3)C(C)C)[H])C)C
ChEBI Ontology
Outgoing betaestacin I (CHEBI:189070) is a carbotricyclic compound (CHEBI:38032)
Manual Xref Database
https://www.sciencedirect.com/science/article/pii/S004040391830193X?via%3Dihub Wikipedia accession
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Last Modified
13 January 2022