(Q105272202)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

2-[[3,6-dihydroxy-4-(5-hydroxy-3-methylpent-3-enyl)-3,4a,8,8-tetramethyl-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

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canonical SMILES

OCC=C(C)CCC1C(O)(C)CC(OC2OCC(O)C(O)C2O)C3C(C)(C)CC(O)CC13C

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isomeric SMILES

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

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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/c1-14(8-9-26)6-7-18-24(4)11-15(27)10-23(2,3)21(24)17(12-25(18,5)31)33-22-20(30)19(29)16(28)13-32-22/h8,15-22,26-31H,6-7,9-13H2,1-5H3/b14-8+/t15-,16-,17-,18+,19-,20+,21-,22-,24+,25+/m0/s1

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InChIKey

UFXMFRIIPSDFDL-QZBFIWFQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UFXMFRIIPSDFDL-QZBFIWFQSA-N

(Q105272202)

(2S,3R,4S,5S)-2-[[(1S,3R,4R,4aS,6S,8aS)-3,6-dihydroxy-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-3,4a,8,8-tetramethyl-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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