CHEBI:144108 - 17(21)-Hopen-3-one

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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 17(21)-Hopen-3-one
ChEBI ID CHEBI:144108
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C30H48O
Net Charge 0
Average Mass 424.703
Monoisotopic Mass 424.371
InChI InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h19,22-24H,9-18H2,1-8H3/t22?,23-,24-,27+,28+,29-,30-/m1/s1
InChIKey QIPITLICOVJMDG-OKOXHQOOSA-N
SMILES O=C1C(C2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5(C(=C(C(C)C)CC5)CC4)C)CC3)C)(C)CC2)(C)CC1)(C)C
ChEBI Ontology
Outgoing 17(21)-Hopen-3-one (CHEBI:144108) is a hopanoid (CHEBI:51963)