(Q105367065)

English

[(1S,4aR,6R,6aR,8R,10R,10aS,10bS)-6-acetyloxy-8-ethenyl-1,6a-dihydroxy-4,4,8,10b-tetramethyl-3,7-dioxo-4a,5,6,9,10,10a-hexahydro-1H-benzo[h]isochromen-10-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6-acetyloxy-8-ethenyl-1,6a-dihydroxy-4,4,8,10b-tetramethyl-3,7-dioxo-4a,5,6,9,10,10a-hexahydro-1H-benzo[h]isochromen-10-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

514.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₄O₉

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canonical SMILES

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

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isomeric SMILES

C=C[C@@]1(C)C[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@@]3(C)[C@@H](O)OC(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]2(O)C1=O

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found in taxon

Orthosiphon aristatus

1 reference

stated in

Staminane- and isopimarane-type diterpenes from Orthosiphon stamineus of Taiwan and their nitric oxide inhibitory activity.

Catoferia spicata

1 reference

stated in

Staminane- and isopimarane-type diterpenes from Orthosiphon stamineus of Taiwan and their nitric oxide inhibitory activity.

Orthosiphon aristatus var. aristatus

2 references

stated in

Four highly oxygenated isopimarane-type diterpenes of Orthosiphon stamineus

stated in

Staminane- and isopimarane-type diterpenes from Orthosiphon stamineus of Taiwan and their nitric oxide inhibitory activity.

Identifiers

InChI

InChI=1S/C28H34O9/c1-7-26(5)14-17(36-21(30)16-11-9-8-10-12-16)20-27(6)18(25(3,4)23(32)37-24(27)33)13-19(35-15(2)29)28(20,34)22(26)31/h7-12,17-20,24,33-34H,1,13-14H2,2-6H3/t17-,18+,19-,20-,24+,26+,27+,28+/m1/s1

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InChIKey

YWQLMKNFNDFXOQ-QKHVDKSASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YWQLMKNFNDFXOQ-QKHVDKSASA-N

(Q105367065)

[(1S,4aR,6R,6aR,8R,10R,10aS,10bS)-6-acetyloxy-8-ethenyl-1,6a-dihydroxy-4,4,8,10b-tetramethyl-3,7-dioxo-4a,5,6,9,10,10a-hexahydro-1H-benzo[h]isochromen-10-yl] benzoate

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