(Q105211721)

English

(2S)-2beta,3beta-Dihydroxy-2,5-dimethyl-7alpha-isopropenyl-10-methylene-1,2,3,4,6aalpha,7,8,9,10,10abeta-decahydrobenzo[e]azulene-1,4-dione

chemical compound

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instance of

type of chemical entity

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subclass of

2,3-Dihydroxy-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydrobenzo[h]azulene-1,4-dione

1 reference

based on heuristic

inferred from SMILES

mass

328.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₄

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canonical SMILES

O=C1C(=CC2C(C=3C(=O)C(O)(C)C(O)C13)C(=C)CCC2C(=C)C)C

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isomeric SMILES

C=C(C)[C@@H]1CCC(=C)[C@@H]2C3=C(C(=O)C(C)=C[C@@H]12)[C@H](O)[C@](C)(O)C3=O

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found in taxon

Jatropha integerrima

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C20H24O4/c1-9(2)12-7-6-10(3)14-13(12)8-11(4)17(21)16-15(14)18(22)20(5,24)19(16)23/h8,12-14,19,23-24H,1,3,6-7H2,2,4-5H3/t12-,13-,14-,19-,20+/m0/s1

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InChIKey

PMTAKUZIYCHAID-RDVHEEPHSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PMTAKUZIYCHAID-RDVHEEPHSA-N

1 reference

(Q105211721)

(2S)-2beta,3beta-Dihydroxy-2,5-dimethyl-7alpha-isopropenyl-10-methylene-1,2,3,4,6aalpha,7,8,9,10,10abeta-decahydrobenzo[e]azulene-1,4-dione

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Identifiers

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