(Q105311583)

English

(1R)-3,4,6-trihydroxy-5-[(2S)-1-hydroxypropan-2-yl]-1,12-dimethyl-10-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),12-pentaene-8,11-dione

chemical compound

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type of chemical entity

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subclass of

3,4,6-trihydroxy-5-(1-hydroxypropan-2-yl)-1,12-dimethyl-10-oxatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-2,4,6,9(16),12-pentaene-8,11-dione

1 reference

based on heuristic

inferred from SMILES

mass

372.12090298 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₀O₇

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canonical SMILES

O=C1OC=2C(=O)C3=C(O)C(=C(O)C(O)=C3C4(C2C(=C1C)CC4)C)C(C)CO

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isomeric SMILES

Cc1c2c3c(oc1=O)C(=O)c1c(O)c([C@H](C)CO)c(O)c(O)c1[C@@]3(C)CC2

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found in taxon

Plectranthus edulis

1 reference

stated in

Isolierung und Strukturaufklärung von 36 Diterpenoiden aus Trichomen vonPlectranthus edulis(VATKE) T.T. AYE

Identifiers

InChI

InChI=1S/C20H20O7/c1-7(6-21)10-14(22)11-13(17(25)15(10)23)20(3)5-4-9-8(2)19(26)27-18(12(9)20)16(11)24/h7,21-23,25H,4-6H2,1-3H3/t7-,20+/m1/s1

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InChIKey

WRUFFDREDJHSIU-GLEHDBDLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WRUFFDREDJHSIU-GLEHDBDLSA-N

(Q105311583)

(1R)-3,4,6-trihydroxy-5-[(2S)-1-hydroxypropan-2-yl]-1,12-dimethyl-10-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),12-pentaene-8,11-dione

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