(Q105361643)

English

methyl (1R,4R,5R,9S,10S,13R,15S)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl 15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

332.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,4S,5S,9S,10S,13R,15S)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1R,4S,5R,9S,10S,13R,15S)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₃

0 references

canonical SMILES

O=C(OC)C1(C)CCCC2(C)C1CCC34CC(C(=C)C3O)CCC24

0 references

isomeric SMILES

C=C1[C@H](O)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3

0 references

found in taxon

Baccharis polyphylla

1 reference

stated in

Five diterpenes and other constituents from nine Baccharis species

common sunflower

1 reference

stated in

Sesquiterpene lactone and diterpene constituents of helianthus annuus

Identifiers

InChI

InChI=1S/C21H32O3/c1-13-14-6-7-16-19(2)9-5-10-20(3,18(23)24-4)15(19)8-11-21(16,12-14)17(13)22/h14-17,22H,1,5-12H2,2-4H3/t14-,15-,16+,17+,19-,20-,21-/m1/s1

0 references

InChIKey

YTLCFXIFEIWKEL-NHGFTMMOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YTLCFXIFEIWKEL-NHGFTMMOSA-N

(Q105361643)

methyl (1R,4R,5R,9S,10S,13R,15S)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Statements

Identifiers

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