(Q105143040)

English

(1R,4aR,5S,8S,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,4a,6-trimethyl-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,8,8a-hexahydronaphthalene-1-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(3-Hydroxy-3-methylpent-4-enyl)-1,4a,6-trimethyl-8-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,4,5,8,8a-hexahydronaphthalene-1-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

452.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₇

0 references

canonical SMILES

O=CC1(C)CCCC2(C)C(C(=CC(OC3OCC(O)C(O)C3O)C12)C)CCC(O)(C=C)C

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isomeric SMILES

C=C[C@](C)(O)CC[C@H]1C(C)=C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@](C)(C=O)CCC[C@]12C

0 references

found in taxon

Gutierrezia sphaerocephala

1 reference

stated in

Diterpene glycosides from Gutierrezia sphaerocephala

Identifiers

InChI

InChI=1S/C25H40O7/c1-6-24(4,30)11-8-16-15(2)12-18(32-22-20(29)19(28)17(27)13-31-22)21-23(3,14-26)9-7-10-25(16,21)5/h6,12,14,16-22,27-30H,1,7-11,13H2,2-5H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25+/m0/s1

0 references

InChIKey

KMMSZOQHQBPZQC-KKXJBOGKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KMMSZOQHQBPZQC-KKXJBOGKSA-N

(Q105143040)

(1R,4aR,5S,8S,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,4a,6-trimethyl-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,8,8a-hexahydronaphthalene-1-carbaldehyde

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