(Q110172835)

English

[13-Acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-4,7-dienoate

group of stereoisomers with the chemical formula C₃₂H₄₄O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

556.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₄O₈

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canonical SMILES

O=C(OC12C(OC(=O)CCC=CCC=CCC)C(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(=CC43)C)C1C2(C)C)C

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found in taxon

Pimelea elongata

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stated in

Daphnane- and tigliane-type diterpenoid esters and orthoesters from Pimelea elongata.

Identifiers

InChI

InChI=1S/C32H44O8/c1-7-8-9-10-11-12-13-14-25(35)39-28-20(3)31(38)23(26-29(5,6)32(26,28)40-21(4)34)16-22(18-33)17-30(37)24(31)15-19(2)27(30)36/h8-9,11-12,15-16,20,23-24,26,28,33,37-38H,7,10,13-14,17-18H2,1-6H3

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InChIKey

WLBZFYVUTLOHOE-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WLBZFYVUTLOHOE-UHFFFAOYSA-N

(Q110172835)

[13-Acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-4,7-dienoate

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Identifiers

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