CHEBI:175562 - Muzanzagenin

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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 Muzanzagenin
ChEBI ID CHEBI:175562
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O5
Net Charge 0
Average Mass 442.596
Monoisotopic Mass 442.27192
InChI InChI=1S/C27H38O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h6,9,14-15,18-19,21-24,29-30H,5,7-8,10-13H2,1-4H3/t14-,15+,18+,19+,21+,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey QRAOBCVRMVGMTN-QWNORFRRSA-N
SMILES O1[C@@]2([C@@]([C@@]3([C@@](C2)(C=4[C@](C[C@@H]3O)([C@@]5(C(CC4)=CC(=O)[C@@H](O)C5)C)[H])[H])C)([C@@H]([C@]16OC[C@@H](CC6)C)C)[H])[H]
ChEBI Ontology
Outgoing Muzanzagenin (CHEBI:175562) is a oxo steroid (CHEBI:35789)
IUPAC Name
(2S,4S,5'R,6R,7S,8R,9S,10S,12S,13R,15S)-10,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(20),17-diene-6,2'-oxane]-16-one
Manual Xref Database
9012227 ChemSpider
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