CHEBI:144139 - 2a-Acetoxy-3,22-stictandione

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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 2a-Acetoxy-3,22-stictandione
ChEBI ID CHEBI:144139
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C32H50O4
Net Charge 0
Average Mass 498.738
Monoisotopic Mass 498.371
InChI InChI=1S/C32H50O4/c1-19(33)36-21-18-30(7)22(28(4,5)26(21)35)13-15-32(9)24(30)11-10-23-29(6)17-16-27(2,3)25(34)20(29)12-14-31(23,32)8/h20-24H,10-18H2,1-9H3/t20?,21?,22?,23?,24?,29?,30?,31?,32-/m0/s1
InChIKey GSRPBBFLBACVKY-AJWNXJQWSA-N
SMILES O=C1C(C2C(C3[C@](C4(C(C5(C(C(=O)C(C)(C)CC5)CC4)C)CC3)C)(C)CC2)(C)CC1OC(=O)C)(C)C
ChEBI Ontology
Outgoing 2a-Acetoxy-3,22-stictandione (CHEBI:144139) is a sesquiterpenoid (CHEBI:26658)