(Q104945832)

English

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

group of stereoisomers with the chemical formula C₃₁H₃₈O₉

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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

554.2515827959999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₈O₉

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canonical SMILES

O=C(OC1C=C2C(OC(=O)C)OC(OC(=O)C)C23C(O)CC(C)C(C)(CC=C(C=C)C)C3C1)C4=CC=C(O)C=C4

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Identifiers

InChI

InChI=1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(35)31-24(28(37-19(4)32)40-29(31)38-20(5)33)15-23(16-25(30)31)39-27(36)21-8-10-22(34)11-9-21/h7-12,15,18,23,25-26,28-29,34-35H,1,13-14,16H2,2-6H3

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InChIKey

BTSDTWZLDJUDMR-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BTSDTWZLDJUDMR-UHFFFAOYSA-N

1 reference

(Q104945832)

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

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