(Q104966411)

English

4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2-methoxy-2H-furan-5-one

group of stereoisomers with the chemical formula C₂₁H₃₀O₅

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Statements

instance of

group of stereoisomers

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1 reference

362.20932406 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₅

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canonical SMILES

O=C1OC(OC)C=C1C=CC2C(=C)CCC3C(C)(CO)C(O)CCC23C

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isomeric SMILES

C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CC(OC)OC1=O

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found in taxon

Andrographis paniculata

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stated in

ent-Labdane diterpenoid lactone stereoisomers from Andrographis paniculata

Identifiers

InChI

InChI=1S/C21H30O5/c1-13-5-8-16-20(2,10-9-17(23)21(16,3)12-22)15(13)7-6-14-11-18(25-4)26-19(14)24/h6-7,11,15-18,22-23H,1,5,8-10,12H2,2-4H3/b7-6+/t15-,16+,17-,18?,20+,21+/m1/s1

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InChIKey

CNXJVKMKGPSCDO-ZPBQUNJGSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CNXJVKMKGPSCDO-ZPBQUNJGSA-N

1 reference

(Q104966411)

4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2-methoxy-2H-furan-5-one

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