(Q105189453)

English

[7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-6,10a-dihydroxy-4b-(hydroxymethyl)-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate

group of stereoisomers with the chemical formula C₃₈H₄₄O₁₂

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Statements

instance of

group of stereoisomers

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1 reference

692.283276848 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₄O₁₂

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canonical SMILES

O=C(OC1CC(C=C)(C(=O)C2(O)C(OC(=O)C)CC3C(C)(C)C(OC(=O)C)C(O)C(OC(=O)C=4C=CC=CC4)C3(CO)C12)C)C=5C=CC=CC5

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found in taxon

Orthosiphon aristatus

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C38H44O12/c1-7-36(6)19-25(49-32(43)23-14-10-8-11-15-23)29-37(20-39)26(18-27(47-21(2)40)38(29,46)34(36)45)35(4,5)30(48-22(3)41)28(42)31(37)50-33(44)24-16-12-9-13-17-24/h7-17,25-31,39,42,46H,1,18-20H2,2-6H3

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InChIKey

OCMIPFCAXYMOEC-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105189453)

[7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-6,10a-dihydroxy-4b-(hydroxymethyl)-2,8,8-trimethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate

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