(Q105222691)

English

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]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-(Hydroxymethyl)-6-[[7,12,16-trimethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

588.43898964 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Cycloeucalenol 3-glucoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₆₀O₆

0 references

canonical SMILES

OCC1OC(OC2CCC34CC54CCC6(C)C(CCC6(C)C5CCC3C2C)C(C)CCC(=C)C(C)C)C(O)C(O)C1O

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C

0 references

found in taxon

Cedrela odorata

1 reference

stated in

Sesquiterpenes, triterpenoids, limonoids and flavonoids of Cedrela odorata graft and speculations on the induced resistance against Hypsipyla grandella

Identifiers

InChI

InChI=1S/C36H60O6/c1-20(2)21(3)8-9-22(4)24-12-14-34(7)28-11-10-25-23(5)26(41-32-31(40)30(39)29(38)27(18-37)42-32)13-15-35(25)19-36(28,35)17-16-33(24,34)6/h20,22-32,37-40H,3,8-19H2,1-2,4-7H3/t22-,23+,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34+,35-,36+/m1/s1

0 references

InChIKey

QJIIOQSORMCNEC-NRWVJDROSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105222691)

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol

Statements

Identifiers

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