(Q111269524)

English

(1'R,2R,3'Z,5'R,7'S,11'S,12'R,13'S,14'S)-1',11',13'-trihydroxy-3',6',6',14'-tetramethylspiro[oxirane-2,10'-tricyclo[10.3.0.0⁵,⁷]pentadecan]-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

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

1 reference

C₂₀H₃₀O₅

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canonical SMILES

O=C1C(=CC2C(CCC3(OC3)C(O)C4C(O)C(C)CC14O)C2(C)C)C

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isomeric SMILES

C/C1=C/[C@@H]2[C@H](CC[C@@]3(CO3)[C@@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C

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found in taxon

Euphorbia lathyris

1 reference

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/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7-/t11-,12-,13+,14+,15-,17-,19+,20+/m0/s1

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InChIKey

VEFQDSXSELSHMX-HMZDNQSVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VEFQDSXSELSHMX-HMZDNQSVSA-N

1 reference

(Q111269524)

(1'R,2R,3'Z,5'R,7'S,11'S,12'R,13'S,14'S)-1',11',13'-trihydroxy-3',6',6',14'-tetramethylspiro[oxirane-2,10'-tricyclo[10.3.0.0⁵,⁷]pentadecan]-3'-en-2'-one

Statements

Identifiers

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