(Q111729214)

English

(1R,3E,5R,7S,11R,12R,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.0⁵,⁷]pentadec-3-en-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

lathyrane diterpenoid

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based on heuristic

inferred from SMILES

mass

334.21440944 dalton

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C₂₀H₃₀O₄

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canonical SMILES

O=C1C(=CC2C(CCC(=C)C(O)C3C(O)C(C)CC13O)C2(C)C)C

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isomeric SMILES

C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C

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found in taxon

Euphorbia lathyris

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stated in

HPLC-UV and HPLC-positive-ESI-MS analysis of the diterpenoid fraction from caper spurge (Euphorbia lathyris) seed oil.

Identifiers

InChI

InChI=1S/C20H30O4/c1-10-6-7-13-14(19(13,4)5)8-11(2)18(23)20(24)9-12(3)17(22)15(20)16(10)21/h8,12-17,21-22,24H,1,6-7,9H2,2-5H3/b11-8+/t12-,13-,14+,15-,16-,17-,20+/m0/s1

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InChIKey

SDBITTRHSROXCY-SVSKDHLKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SDBITTRHSROXCY-SVSKDHLKSA-N

1 reference

1 reference

matched by identifier from

InChIKey

SDBITTRHSROXCY-SVSKDHLKSA-N

Probes And Drugs ID

PD088396

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(Q111729214)

(1R,3E,5R,7S,11R,12R,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.0⁵,⁷]pentadec-3-en-2-one

Statements

Identifiers

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