(Q105324552)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

472.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₄O₈

0 references

canonical SMILES

OCC=C(C)CCC1C(O)(C)CC(OC2OCC(O)C(O)C2O)C3C(C)(CO)CCCC13C

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isomeric SMILES

C/C(=C\CO)CC[C@@H]1[C@@]2(C)CCC[C@](C)(CO)[C@@H]2[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C[C@@]1(C)O

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/C25H44O8/c1-15(8-11-26)6-7-18-24(3)10-5-9-23(2,14-27)21(24)17(12-25(18,4)31)33-22-20(30)19(29)16(28)13-32-22/h8,16-22,26-31H,5-7,9-14H2,1-4H3/b15-8+/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25+/m0/s1

0 references

InChIKey

XBKVWPQLWPFSGL-BRWGKAQFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBKVWPQLWPFSGL-BRWGKAQFSA-N

(Q105324552)

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

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Identifiers

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