(Q105193604)

English

[(1S,4S,5R,6R,9R,10R,12R,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl octanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

{4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-7-yl}methyl octanoate

1 reference

based on heuristic

inferred from SMILES

mass

474.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₂O₆

0 references

canonical SMILES

O=C(OCC1=CC2C(=O)C3(C=C(C)C(O)C3(O)C1O)C(C)CC4C2C4(C)C)CCCCCCC

0 references

isomeric SMILES

CCCCCCCC(=O)OCC1=C[C@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@H]1[C@H]2C1(C)C

0 references

found in taxon

Euphorbia peplus

1 reference

stated in

Biologically active diterpene esters from euphorbia peplus

Identifiers

InChI

InChI=1S/C28H42O6/c1-6-7-8-9-10-11-21(29)34-15-18-13-19-22-20(26(22,4)5)12-17(3)27(25(19)32)14-16(2)23(30)28(27,33)24(18)31/h13-14,17,19-20,22-24,30-31,33H,6-12,15H2,1-5H3/t17-,19-,20-,22+,23+,24-,27+,28-/m1/s1

0 references

InChIKey

OKKFGJXSFAIADD-HMFAESLBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OKKFGJXSFAIADD-HMFAESLBSA-N

(Q105193604)

[(1S,4S,5R,6R,9R,10R,12R,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl octanoate

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