CHEBI:144131 - 22-Hydroxy-1-hopanone

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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 22-Hydroxy-1-hopanone
ChEBI ID CHEBI:144131
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C30H50O2
Net Charge 0
Average Mass 442.718
Monoisotopic Mass 442.381
InChI InChI=1S/C30H50O2/c1-25(2)15-14-24(31)30(8)21(25)13-18-29(7)23(30)10-9-22-27(5)16-11-19(26(3,4)32)20(27)12-17-28(22,29)6/h19-23,32H,9-18H2,1-8H3/t19-,20-,21?,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey OFMYBLNHEMHCAO-LISTXKHRSA-N
SMILES O=C1[C@@]2([C@@H]3[C@]([C@]4([C@@H]([C@@]5([C@H]([C@@H](C(O)(C)C)CC5)CC4)C)CC3)C)(CCC2C(C)(C)CC1)C)C
ChEBI Ontology
Outgoing 22-Hydroxy-1-hopanone (CHEBI:144131) is a hopanoid (CHEBI:51963)