(Q105137403)

English

[(1S,2R,4aR,5S,6R,8S,8aR)-2-acetyloxy-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-7-oxo-2,3,4,6,8,8a-hexahydronaphthalen-1-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-Acetyloxy-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-7-oxo-2,3,4,6,8,8a-hexahydronaphthalen-1-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

450.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,4aS,5R,6S,8S,8aS)-2-acetyloxy-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-7-oxo-2,3,4,6,8,8a-hexahydronaphthalen-1-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₄O₈

0 references

canonical SMILES

O=C(OCC1(C)C(OC(=O)C)CCC2(C)C1C(O)C(=O)C(C)C2(O)CCC3=COC=C3)C

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isomeric SMILES

CC(=O)OC[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]1[C@H](O)C(=O)[C@H](C)[C@@]2(O)CCc1ccoc1

0 references

found in taxon

Leonurus sibiricus

1 reference

stated in

Diterpenoids from Leonurus sibiricus

Identifiers

InChI

InChI=1S/C24H34O8/c1-14-19(27)20(28)21-22(4,13-31-15(2)25)18(32-16(3)26)7-9-23(21,5)24(14,29)10-6-17-8-11-30-12-17/h8,11-12,14,18,20-21,28-29H,6-7,9-10,13H2,1-5H3/t14-,18+,20+,21+,22-,23+,24-/m0/s1

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InChIKey

JZHOSKVGCDOWCU-CAPDWMCSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JZHOSKVGCDOWCU-CAPDWMCSSA-N

1 reference

(Q105137403)

[(1S,2R,4aR,5S,6R,8S,8aR)-2-acetyloxy-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-7-oxo-2,3,4,6,8,8a-hexahydronaphthalen-1-yl]methyl acetate

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