(Q104985213)

English

(6,7,10-triacetyloxy-5-benzoyloxy-3-ethenyl-2,10a-dihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl) benzoate

group of stereoisomers with the chemical formula C₄₀H₄₆O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

734.293841532 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₄₆O₁₃

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canonical SMILES

O=C(OC1C(C=C)C(O)(C(=O)C2(O)C(OC(=O)C)CC3C(C)(C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C=4C=CC=CC4)C3(C)C12)C)C=5C=CC=CC5

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found in taxon

Orthosiphon aristatus

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stated in

Highly-oxygenated isopimarane-type diterpenes from Orthosiphon stamineus of Indonesia and their nitric oxide inhibitory activity

Identifiers

InChI

InChI=1S/C40H46O13/c1-9-26-29(52-34(44)24-16-12-10-13-17-24)31-38(7)27(20-28(49-21(2)41)40(31,48)36(46)39(26,8)47)37(5,6)32(51-23(4)43)30(50-22(3)42)33(38)53-35(45)25-18-14-11-15-19-25/h9-19,26-33,47-48H,1,20H2,2-8H3

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InChIKey

DMMVJHQAIBQUJU-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DMMVJHQAIBQUJU-UHFFFAOYSA-N

1 reference

(Q104985213)

(6,7,10-triacetyloxy-5-benzoyloxy-3-ethenyl-2,10a-dihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl) benzoate

Statements

Identifiers

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