(Q105228212)

English

(1R,4S,5R,8S,9R,12S)-12-methyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,9.04,8]hexadec-10-ene-4-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1R,4S,5R,8S,9S)-5-isopropyl-12-methyl-13-oxatetracyclo[10.2.2.0¹,⁹.0⁴,⁸]hexadec-10-ene-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

12-Methyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,9.04,8]hexadec-10-ene-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

(4S,5R,8S,9R)-5-isopropyl-12-methyl-13-oxatetracyclo[10.2.2.0¹,⁹.0⁴,⁸]hexadec-10-ene-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4S,5R,8S,9S,12S)-12-methyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,9.04,8]hexadec-10-ene-4-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C(O)C12CCC34COC(C=CC3C2CCC1C(C)C)(C)CC4

0 references

isomeric SMILES

CC(C)[C@H]1CC[C@H]2[C@H]3C=C[C@]4(C)CC[C@@]3(CC[C@@]21C(=O)O)CO4

0 references

found in taxon

Azorella prolifera

1 reference

stated in

Mulinane-type diterpenoids from Mulinum spinosum

Identifiers

InChI

InChI=1S/C20H30O3/c1-13(2)14-4-5-16-15-6-7-18(3)8-9-19(15,12-23-18)10-11-20(14,16)17(21)22/h6-7,13-16H,4-5,8-12H2,1-3H3,(H,21,22)/t14-,15-,16+,18-,19-,20+/m1/s1

0 references

InChIKey

QUIYFMAFJIAUMA-HFJXXIIPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QUIYFMAFJIAUMA-HFJXXIIPSA-N

(Q105228212)

(1R,4S,5R,8S,9R,12S)-12-methyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,9.04,8]hexadec-10-ene-4-carboxylic acid

Statements

Identifiers

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