CHEBI:175522 - Ganoderal A

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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 Ganoderal A
ChEBI ID CHEBI:175522
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O2
Net Charge 0
Average Mass 436.680
Monoisotopic Mass 436.33413
InChI InChI=1S/C30H44O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,19,21-22,25H,8,10,12-13,15-18H2,1-7H3/b20-9+/t21-,22-,25+,28-,29-,30+/m1/s1
InChIKey RHNFCIPJKSUUES-SPFFTVLFSA-N
SMILES O=C1C([C@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CC/C=C(\C)/C=O)C)[H])(CC3)C)C)=CC2)(CC1)C)[H])(C)C
ChEBI Ontology
Outgoing Ganoderal A (CHEBI:175522) is a triterpenoid (CHEBI:36615)
IUPAC Name
(E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enal
Manual Xref Database
10269415 ChemSpider
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