(Q105136559)

English

1-O-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] 3-O-[(1S,4R,9R,10S,13S,16R)-5,5,9-trimethyl-14-methylidene-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] propanedioate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-O-(3,7,11,15-tetramethylhexadec-2-enyl) 3-O-(5,5,9-trimethyl-14-methylidene-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) propanedioate

1 reference

based on heuristic

inferred from SMILES

mass

652.543060784 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₇₂O₄

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canonical SMILES

O=C(OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)CC(=O)OC1C2C(=C)CC31CCC4C(C)(C)CCCC4(C)C3CC2

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isomeric SMILES

C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1[C@H]3OC(=O)CC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C

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found in taxon

Nardia scalaris

1 reference

stated in

Diterpene malonates and other terpenes from Nardia succulenta and N. scalaris

Identifiers

InChI

InChI=1S/C43H72O4/c1-30(2)14-10-15-31(3)16-11-17-32(4)18-12-19-33(5)23-27-46-38(44)28-39(45)47-40-35-20-21-37-42(9)25-13-24-41(7,8)36(42)22-26-43(37,40)29-34(35)6/h23,30-32,35-37,40H,6,10-22,24-29H2,1-5,7-9H3/b33-23+/t31-,32-,35-,36+,37-,40+,42+,43-/m0/s1

0 references

InChIKey

JXFPUPKXDJCUDW-MUGVUULISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JXFPUPKXDJCUDW-MUGVUULISA-N

(Q105136559)

1-O-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] 3-O-[(1S,4R,9R,10S,13S,16R)-5,5,9-trimethyl-14-methylidene-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] propanedioate

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