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rel-hopan-27-al-6beta,11alpha,22-triol

Go to external page http://purl.obolibrary.org/obo/CHEBI_67963

A hopanoid that is hopan-27-al substituted by hydroxy groups at positions 6, 11 and 22 (the 6beta,11alpha-stereoisomer). It has been isolated from Conoideocrella tenuis.

Term info

Label

rel-hopan-27-al-6beta,11alpha,22-triol

Synonyms
  • (6beta,11alpha)-6,11,22-trihydroxyhopan-27-al
database cross reference
Subsets

3_STAR

IUPAC NAME
(6beta,11alpha)-6,11,22-trihydroxyhopan-27-al [ IUPAC ]

charge

0

formula

C30H50O4

has obo namespace

chebi_ontology

id

CHEBI:67963

inchi

InChI=1S/C30H50O4/c1-25(2)11-8-12-28(6)23(25)21(33)16-29(7)24(28)20(32)15-22-27(5)13-9-18(26(3,4)34)19(27)10-14-30(22,29)17-31/h17-24,32-34H,8-16H2,1-7H3/t18-,19-,20+,21+,22+,23-,24+,27-,28-,29+,30-/m0/s1

inchikey

HNKBWPYYJWLMQY-ZEZQLZSKSA-N

mass

474.71560

monoisotopicmass

474.37091

smiles

CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C=O)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)C[C@@]12C