CHEBI:212596 - Friedelane-1,3-dione

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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 Friedelane-1,3-dione
ChEBI ID CHEBI:212596
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O2
Net Charge 0
Average Mass 440.712
Monoisotopic Mass 440.36543
InChI InChI=1S/C30H48O2/c1-19-20(31)17-21(32)24-27(19,5)10-9-22-28(24,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(22,30)7/h19,22-24H,9-18H2,1-8H3/t19-,22?,23?,24?,26+,27+,28+,29+,30-/m0/s1
InChIKey CIYYAWPHDGBGKJ-PCRRXLPCSA-N
SMILES O=C1C2[C@]3(C([C@@]4([C@@](C5[C@@](CCC(C5)(C)C)(C)CC4)(C)CC3)C)CC[C@@]2([C@@H](C)C(C1)=O)C)C
ChEBI Ontology
Outgoing Friedelane-1,3-dione (CHEBI:212596) is a triterpenoid (CHEBI:36615)
IUPAC Name
(4R,4aR,6aS,6bR,8aR,14aR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picene-1,3-dione
Manual Xref Database
78443776 ChemSpider
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