(Q105325370)

English

(1R,2R,5R,8R,9R,12R,13R,16S)-8-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-3-ene-2,16-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8-(5,6-Dimethylhept-3-en-2-yl)-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-3-ene-2,16-diol

1 reference

based on heuristic

inferred from SMILES

mass

444.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(22E)-5alpha,9alpha-Epidioxyergosta-7,22-diene-3beta,6alpha-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(22E)-5alpha,9alpha-Epidioxyergosta-7,22-diene-3beta,6beta-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄O₄

0 references

canonical SMILES

OC1C=C2C3CCC(C(C=CC(C)C(C)C)C)C3(C)CCC42OOC51CC(O)CCC45C

0 references

isomeric SMILES

CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]45C[C@@H](O)CC[C@]4(C)[C@]3(CC[C@@]21C)OO5

0 references

found in taxon

Panellus

1 reference

stated in

New sterols from two edible mushrooms, Pleurotus eryngii and Panellus serotinus

Identifiers

InChI

InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h7-8,15,17-22,24,29-30H,9-14,16H2,1-6H3/b8-7+/t18-,19-,20-,21+,22-,24+,25+,26+,27+,28-/m0/s1

0 references

InChIKey

XCRHWCBOUDKLGM-ORBCOLRWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XCRHWCBOUDKLGM-ORBCOLRWSA-N

(Q105325370)

(1R,2R,5R,8R,9R,12R,13R,16S)-8-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-3-ene-2,16-diol

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Identifiers

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