(Q104180068)

English

[1,3,5-Triacetyloxy-7,8-dimethyl-7-(3-methylpenta-2,4-dienyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate

group of stereoisomers with the chemical formula C₃₃H₄₀O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

1 reference

inferred from

clerodane diterpenoid

mass

596.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₀O₁₀

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canonical SMILES

O=C(OC1CC(C)C(C)(CC=C(C=C)C)C2CC(OC(=O)C)C=C3C(OC(=O)C)OC(OC(=O)C)C312)C4=CC=C(O)C=C4

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found in taxon

Casearia arborea

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stated in

Cytotoxic clerodane diterpenoids from Casearia obliqua.

Identifiers

InChI

InChI=1S/C33H40O10/c1-8-18(2)13-14-32(7)19(3)15-28(42-29(38)23-9-11-24(37)12-10-23)33-26(16-25(17-27(32)33)39-20(4)34)30(40-21(5)35)43-31(33)41-22(6)36/h8-13,16,19,25,27-28,30-31,37H,1,14-15,17H2,2-7H3

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InChIKey

NVVFTAMNEDAOEH-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NVVFTAMNEDAOEH-UHFFFAOYSA-N

1 reference

(Q104180068)

[1,3,5-Triacetyloxy-7,8-dimethyl-7-(3-methylpenta-2,4-dienyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate

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