(Q105382147)

English

[(1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,12,16-trimethyl-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

[15-(5,6-Dimethylhept-6-en-2-yl)-7,12,16-trimethyl-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

688.6158318 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₈₀O₂

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canonical SMILES

O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1C)C(C)CCC(C(=C)C)C)CCCCCCCC=CCC=CCCCCC

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isomeric SMILES

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

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found in taxon

Goniophlebium mengtzeense

1 reference

stated in

Triterpenoids from the fern Goniophlebium mengtzeense

Identifiers

InChI

InChI=1S/C48H80O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-44(49)50-42-30-32-47-35-48(47)34-33-45(7)40(38(5)26-25-37(4)36(2)3)29-31-46(45,8)43(48)28-27-41(47)39(42)6/h13-14,16-17,37-43H,2,9-12,15,18-35H2,1,3-8H3/b14-13-,17-16-/t37-,38+,39-,40+,41-,42-,43-,45+,46-,47+,48-/m0/s1

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InChIKey

ZROUYPIYKXGEAC-MPTYEAEHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZROUYPIYKXGEAC-MPTYEAEHSA-N

(Q105382147)

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

Statements

Identifiers

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