(Q105166028)

English

[(1R,4aR,5S,6R,8S,8aR)-1,8-dihydroxy-8a-(hydroxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]methyl 2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

clerodane diterpenoid

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mass

450.261753556 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₈O₇

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canonical SMILES

O=C1OCC(=C1)CCC2(C)C(C)CC(O)C3(CO)C2CCCC3(O)COC(=O)C(=CC)C

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isomeric SMILES

CC=C(C)C(=O)OC[C@@]1(O)CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@]21CO

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found in taxon

Ajuga ciliata

1 reference

stated in

Bioactive neo-clerodane diterpenoids from the whole plants of Ajuga ciliata Bunge

Identifiers

InChI

InChI=1S/C25H38O7/c1-5-16(2)22(29)32-15-24(30)9-6-7-19-23(4,10-8-18-12-21(28)31-13-18)17(3)11-20(27)25(19,24)14-26/h5,12,17,19-20,26-27,30H,6-11,13-15H2,1-4H3/t17-,19-,20+,23+,24+,25+/m1/s1

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InChIKey

MKJOVGRMTQOYAQ-OVRXVIJRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MKJOVGRMTQOYAQ-OVRXVIJRSA-N

(Q105166028)

[(1R,4aR,5S,6R,8S,8aR)-1,8-dihydroxy-8a-(hydroxymethyl)-5,6-dimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]methyl 2-methylbut-2-enoate

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Identifiers

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