(Q105190044)

English

(2S,3R,4S,5S)-2-[[(1S,4aS,6R,8S,8aR)-6-hydroxy-3,8-bis(hydroxymethyl)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8-dimethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-yl]oxy]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[6-Hydroxy-3,8-bis(hydroxymethyl)-4-(5-hydroxy-3-methylpent-3-enyl)-4a,8-dimethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

486.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₂O₉

0 references

canonical SMILES

OCC=C(C)CCC1=C(CO)CC(OC2OCC(O)C(O)C2O)C3C1(C)CC(O)CC3(C)CO

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isomeric SMILES

C/C(=C\CO)CCC1=C(CO)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@](C)(CO)C[C@H](O)C[C@]12C

0 references

found in taxon

Baccharis gaudichaudiana

1 reference

stated in

Gaudichaudiosides A–E, five novel diterpene glycoside constituents from the sweet-tasting plant, Baccharis gaudichaudiana

Identifiers

InChI

InChI=1S/C25H42O9/c1-14(6-7-26)4-5-17-15(11-27)8-19(34-23-21(32)20(31)18(30)12-33-23)22-24(2,13-28)9-16(29)10-25(17,22)3/h6,16,18-23,26-32H,4-5,7-13H2,1-3H3/b14-6+/t16-,18-,19-,20-,21+,22-,23-,24+,25+/m0/s1

0 references

InChIKey

ODUBMYSXJWMARF-PXGCCCARSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ODUBMYSXJWMARF-PXGCCCARSA-N

(Q105190044)

(2S,3R,4S,5S)-2-[[(1S,4aS,6R,8S,8aR)-6-hydroxy-3,8-bis(hydroxymethyl)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8-dimethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-yl]oxy]oxane-3,4,5-triol

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Identifiers

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