(Q104908497)

English

[(2S,3S,4aR,5R,8aS)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,1,4a,6-tetramethyl-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

5-(5-hydroxy-3-methylpent-3-en-1-yl)-1,1,4a,6-tetramethyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

550.35056856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4aS,5R,8aS)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,1,4a,6-tetramethyl-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2S,3S,4aS,5R,8aS)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,1,4a,6-tetramethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₀O₈

0 references

canonical SMILES

O=C(OC1C(OC2OC(C)C(O)C(O)C2O)CC3(C)C(C(=CCC3C1(C)C)C)CCC(=CCO)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@]2(C)[C@H](CC/C(C)=C/CO)C(C)=CC[C@@H]2C1(C)C

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found in taxon

Baccharis pingraea

1 reference

stated in

Diterpene glycosides and other constituents from argentinian baccharis species

Baccharis salicifolia

1 reference

stated in

Diterpene glycosides and other constituents from argentinian baccharis species

Baccharis glutinosa

1 reference

stated in

Diterpene glycosides and other constituents from argentinian baccharis species

Baccharis douglasii

1 reference

stated in

Diterpene glycosides and other constituents from argentinian baccharis species

Identifiers

InChI

InChI=1S/C31H50O8/c1-9-18(3)28(36)39-27-22(38-29-26(35)25(34)24(33)20(5)37-29)16-31(8)21(12-10-17(2)14-15-32)19(4)11-13-23(31)30(27,6)7/h9,11,14,20-27,29,32-35H,10,12-13,15-16H2,1-8H3/b17-14+,18-9-/t20-,21+,22-,23+,24+,25+,26-,27+,29+,31+/m0/s1

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InChIKey

ABAMJPLUWDIGKU-XTVGERDZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104908497)

[(2S,3S,4aR,5R,8aS)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,1,4a,6-tetramethyl-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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