(Q105022693)

English

[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (9Z,12Z)-octadeca-9,12-dienoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] octadeca-9,12-dienoate

1 reference

based on heuristic

inferred from SMILES

mass

702.631481864 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₉H₈₂O₂

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canonical SMILES

O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CCC(=C)C(C)C)CCCCCCCC=CCC=CCCCCC

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C

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found in taxon

Goniophlebium mengtzeense

1 reference

stated in

Triterpenoids from the fern Goniophlebium mengtzeense

Identifiers

InChI

InChI=1S/C49H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-44(50)51-43-31-33-48-36-49(48)35-34-46(8)40(39(5)27-26-38(4)37(2)3)30-32-47(46,9)42(49)29-28-41(48)45(43,6)7/h14-15,17-18,37,39-43H,4,10-13,16,19-36H2,1-3,5-9H3/b15-14-,18-17-/t39-,40-,41+,42+,43+,46-,47+,48-,49+/m1/s1

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InChIKey

GWRJSZMEESKPDA-MIBRNHLPSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105022693)

[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (9Z,12Z)-octadeca-9,12-dienoate

Statements

Identifiers

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