(Q105132410)

English

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxyoxan-2-yl]methyl (4S)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carbonyloxy]oxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate

1 reference

1 reference

512.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxyoxan-2-yl]methyl (4S)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₆H₄₀O₁₀

0 references

canonical SMILES

O=C(OCC1OC(OC(=O)C2=CCC(CC2)C(O)(C)C)C(O)C(O)C1O)C3=CCC(CC3)C(O)(C)C

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isomeric SMILES

CC(C)(O)[C@@H]1CC=C(C(=O)OC[C@H]2O[C@@H](OC(=O)C3=CC[C@H](C(C)(C)O)CC3)[C@H](O)[C@@H](O)[C@@H]2O)CC1

0 references

found in taxon

Cunila spicata

1 reference

stated in

Monoterpene Glucosides from Cunila spicata

Identifiers

InChI

InChI=1S/C26H40O10/c1-25(2,32)16-9-5-14(6-10-16)22(30)34-13-18-19(27)20(28)21(29)24(35-18)36-23(31)15-7-11-17(12-8-15)26(3,4)33/h5,7,16-21,24,27-29,32-33H,6,8-13H2,1-4H3/t16-,17+,18-,19-,20+,21-,24+/m1/s1

0 references

InChIKey

JOLLIDAUJSAZHE-VPHKCMIWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105132410)

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxyoxan-2-yl]methyl (4S)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

Statements

Identifiers

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