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CHEBI:210793 - Sterhirsutin H

ChEBI IDCHEBI:210793
ChEBI NameSterhirsutin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H54O11
Net Charge0
Average Mass782.927
Monoisotopic Mass782.36661
SMILESC=C1C(=O)C(OC(=O)[C@@]2(C)C[C@@H]3CC4=C(OC(=O)[C@@]5(C)C[C@@H]6C[C@H]7C(=O)C(O)=C(COC)[C@@]7(C)[C@@H]6C5)C(=O)C(=C)[C@@]4(C)[C@@H]3C2)=C2C[C@H]3C[C@](C)(C(=O)O)C[C@H]3[C@]12C
InChIInChI=1S/C46H54O11/c1-20-32(47)36(26-11-23-13-41(3,38(51)52)16-28(23)44(20,26)6)56-39(53)42(4)15-24-12-27-37(33(48)21(2)45(27,7)29(24)17-42)57-40(54)43(5)14-22-10-25-34(49)35(50)31(19-55-9)46(25,8)30(22)18-43/h22-25,28-30,50H,1-2,10-19H2,3-9H3,(H,51,52)/t22-,23-,24-,25-,28+,29+,30+,41-,42-,43-,44+,45+,46+/m0/s1
InChIKeyGYUZZLDDLNZFON-TYXOBLAXSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (26068271)
ChEBI Ontology
Outgoing Relation(s)
Sterhirsutin H (CHEBI:210793) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aS,3bR,5S,6aS)-1-[(3aS,3bR,5S,6aS)-1-[(3aS,3bR,5S,6aS,7aR)-2-hydroxy-3-(methoxymethyl)-3a,5-dimethyl-1-oxo-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalene-5-carbonyl]oxy-3a,5-dimethyl-3-methylidene-2-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carbonyl]oxy-3a,5-dimethyl-3-methylidene-2-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylic acid