(Q105218609)

English

[(E)-5-[(1S,4aS,5R,8aS)-2,5-bis(acetyloxymethyl)-5,8a-dimethyl-6-oxo-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-[2,5-bis(acetyloxymethyl)-5,8a-dimethyl-6-oxo-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

462.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₇

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canonical SMILES

O=C(OCC=C(C)CCC1C(=CCC2C(C(=O)CCC12C)(C)COC(=O)C)COC(=O)C)C

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isomeric SMILES

CC(=O)OC/C=C(\C)CC[C@@H]1C(COC(C)=O)=CC[C@H]2[C@@]1(C)CCC(=O)[C@@]2(C)COC(C)=O

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found in taxon

Vitex cauliflora

1 reference

stated in

A new labdane diterpene from Vitex cauliflora Moldenke from the Madagascar rainforest.

Identifiers

InChI

InChI=1S/C26H38O7/c1-17(12-14-31-18(2)27)7-9-22-21(15-32-19(3)28)8-10-23-25(22,5)13-11-24(30)26(23,6)16-33-20(4)29/h8,12,22-23H,7,9-11,13-16H2,1-6H3/b17-12+/t22-,23+,25+,26+/m1/s1

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InChIKey

QCUWSJLOVAEKSM-RTCTZIPZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QCUWSJLOVAEKSM-RTCTZIPZSA-N

(Q105218609)

[(E)-5-[(1S,4aS,5R,8aS)-2,5-bis(acetyloxymethyl)-5,8a-dimethyl-6-oxo-4,4a,7,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate

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Identifiers

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