(Q104944273)

English

[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,5S,8S,9R)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methoxy]oxan-3-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl)methoxy]oxan-3-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

464.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₇

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canonical SMILES

O=C(OC1C(OCC2=CC3(C)CCC4C(C)CCC43C2C)OC(CO)C(O)C1O)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC1=C[C@]2(C)CC[C@H]3[C@H](C)CC[C@@]32[C@@H]1C

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found in taxon

Osteospermum rigidum

1 reference

stated in

Sesquiterpene glycosides and other constituents from osteospermum species

Identifiers

InChI

InChI=1S/C26H40O7/c1-6-14(2)23(30)33-22-21(29)20(28)19(12-27)32-24(22)31-13-17-11-25(5)9-8-18-15(3)7-10-26(18,25)16(17)4/h6,11,15-16,18-22,24,27-29H,7-10,12-13H2,1-5H3/b14-6-/t15-,16-,18+,19-,20-,21+,22-,24-,25+,26-/m1/s1

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InChIKey

BQCNGCWFJFGEPR-IBSJHALGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BQCNGCWFJFGEPR-IBSJHALGSA-N

(Q104944273)

[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,5S,8S,9R)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methoxy]oxan-3-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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