(Q105150523)

English

[(2S,4aS,5R,6R,8aS)-5-hydroxy-1,1,4a,6-tetramethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

labdanes

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mass

378.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₅

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canonical SMILES

O=C1OCC=C1CCC2(O)C(C)CCC3C(C)(C)C(OC(=O)C)CCC32C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]2(O)CCC2=CCOC2=O)C1(C)C

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found in taxon

Vitex rotundifolia

1 reference

stated in

Anti-inflammatory constituents from the fruits of Vitex rotundifolia

Identifiers

InChI

InChI=1S/C22H34O5/c1-14-6-7-17-20(3,4)18(27-15(2)23)9-11-21(17,5)22(14,25)12-8-16-10-13-26-19(16)24/h10,14,17-18,25H,6-9,11-13H2,1-5H3/t14-,17+,18+,21+,22-/m1/s1

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InChIKey

LEEPSVTWQNEWST-NDOLZWLNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LEEPSVTWQNEWST-NDOLZWLNSA-N

1 reference

(Q105150523)

[(2S,4aS,5R,6R,8aS)-5-hydroxy-1,1,4a,6-tetramethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,6,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

Statements

Identifiers

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