CHEBI:220344 - Astrakurkurol

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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 Astrakurkurol
ChEBI ID CHEBI:220344
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H56O3
Net Charge 0
Average Mass 500.808
Monoisotopic Mass 500.42295
InChI InChI=1S/C33H56O3/c1-10-35-28-21(2)13-20-33(9,36-28)22(3)23-14-18-32(8)25-11-12-26-29(4,5)27(34)16-17-30(26,6)24(25)15-19-31(23,32)7/h21-23,26-28,34H,10-20H2,1-9H3/t21-,22-,23+,26-,27-,28+,30+,31+,32-,33+/m0/s1
InChIKey NMVFHEIVSJMPPY-QYELQWIWSA-N
SMILES O1[C@@]([C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C)C)(CC[C@@H]([C@@H]1OCC)C)C
Metabolite of Species Details
Astraeus hygrometricus (NCBI:txid150782) See: PubMed
ChEBI Ontology
Outgoing Astrakurkurol (CHEBI:220344) is a triterpenoid (CHEBI:36615)
IUPAC Name
(3S,5R,10S,13R,14R,17R)-17-[(1S)-1-[(2R,5S,6R)-6-ethoxy-2,5-dimethyloxan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xref Database
78437657 ChemSpider
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