CHEBI:200926 - 17(21)-hopene-6alpha,12beta-diol

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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)-hopene-6alpha,12beta-diol
ChEBI ID CHEBI:200926
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O2
Net Charge 0
Average Mass 442.728
Monoisotopic Mass 442.38108
InChI InChI=1S/C30H50O2/c1-18(2)19-10-14-27(5)20(19)11-15-29(7)25(27)21(31)16-23-28(6)13-9-12-26(3,4)24(28)22(32)17-30(23,29)8/h18,21-25,31-32H,9-17H2,1-8H3/t21-,22+,23-,24+,25-,27+,28-,29-,30-/m1/s1
InChIKey PIYOHPNMTFGCSD-QABYISBDSA-N
SMILES O[C@@H]1[C@@H]2[C@@]([C@H]3C[C@@H](O)[C@H]4[C@]([C@@]3(C1)C)(CCC=5[C@@]4(CCC5C(C)C)C)C)(CCCC2(C)C)C
Metabolite of Species Details
Aschersonia (NCBI:txid100986) See: PubMed
ChEBI Ontology
Outgoing 17(21)-hopene-6alpha,12beta-diol (CHEBI:200926) is a hopanoid (CHEBI:51963)
IUPAC Name
(5aR,5bR,7S,7aS,11aR,11bR,13R,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene-7,13-diol
Manual Xref Database
24672509 ChemSpider
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