(Q104401130)

English

(1S,4R,7S,8R,13S,14S,16R)-13-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,3,18-trioxapentacyclo[6.6.2.21,4.04,16.012,15]octadeca-9,12(15)-dien-11-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

13-hydroxy-10,14-dimethyl-7-(prop-1-en-2-yl)-2,3,18-trioxapentacyclo[6.6.2.2¹,⁴.0⁴,¹⁶.0¹²,¹⁵]octadeca-9,12(15)-dien-11-one

1 reference

based on heuristic

inferred from SMILES

mass

344.162373868 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4R,7R,8S,13R,14R,16S)-13-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,3,18-trioxapentacyclo[6.6.2.21,4.04,16.012,15]octadeca-9,12(15)-dien-11-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S)-1beta-Hydroxy-2alpha,9-dimethyl-7alpha-isopropenyl-2abeta,4abeta-epidioxy-2,2a,4,4a,5,6,7,7aalpha,10,10cbeta-decahydro-1H-3-oxanaphtho[2,1,8-cde]azulene-10-one

1 reference

based on heuristic

inferred from InChI

(1R,4S,7R,8S,13R,14R,16S)-13-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,3,18-trioxapentacyclo[6.6.2.21,4.04,16.012,15]octadeca-9,12(15)-dien-11-one

1 reference

based on heuristic

inferred from InChI

(1S)-1beta-Hydroxy-2beta,9-dimethyl-7alpha-isopropenyl-2aalpha,4aalpha-epidioxy-2,2a,4,4a,5,6,7,7aalpha,10,10cbeta-decahydro-1H-3-oxanaphtho[2,1,8-cde]azulene-10-one

1 reference

based on heuristic

inferred from InChI

(1R,4S,7R,8R,13R,14R,16S)-13-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,3,18-trioxapentacyclo[6.6.2.21,4.04,16.012,15]octadeca-9,12(15)-dien-11-one

1 reference

based on heuristic

inferred from InChI

(1R,4S,7S,8S,13S,14S,16R)-13-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,3,18-trioxapentacyclo[6.6.2.21,4.04,16.012,15]octadeca-9,12(15)-dien-11-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₅

0 references

canonical SMILES

O=C1C(=CC2C(C(=C)C)CCC34OOC5(OC3)C(=C1C(O)C5C)C24)C

0 references

isomeric SMILES

C=C(C)[C@H]1CC[C@@]23CO[C@@]4(OO2)C2=C(C(=O)C(C)=C[C@H]1[C@H]23)[C@@H](O)[C@@H]4C

0 references

found in taxon

Jatropha integerrima

3 references

stated in

Diterpenes, sesquiterpenes, and a sesquiterpene-coumarin conjugate from Jatropha integerrima

stated in

A Novel 8,9-seco-Rhamnofolane and a New Rhamnofolane Endoperoxide from Jatropha integerrima roots.

stated in

A novel 8,9-seco-rhamnofolane and a new rhamnofolane endoperoxide from Jatropha integerrima roots

Jatropha grossidentata

2 references

stated in

Diterpenes and a lignan from Jatropha grossidentata

stated in

Rhamnofolane derivatives from Jatropha grossidentata

Identifiers

InChI

InChI=1S/C20H24O5/c1-9(2)12-5-6-19-8-23-20(25-24-19)11(4)18(22)14-16(20)15(19)13(12)7-10(3)17(14)21/h7,11-13,15,18,22H,1,5-6,8H2,2-4H3/t11-,12+,13+,15+,18-,19-,20-/m0/s1

0 references

InChIKey

AINNPETUGJFTND-PYFMSPEWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AINNPETUGJFTND-PYFMSPEWSA-N

1 reference

(Q104401130)

(1S,4R,7S,8R,13S,14S,16R)-13-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,3,18-trioxapentacyclo[6.6.2.21,4.04,16.012,15]octadeca-9,12(15)-dien-11-one

Statements

Identifiers

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