(Q104974143)

English

[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4a-hydroxy-1-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl (3R)-3-methylpentanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-Acetyloxy-4a-hydroxy-1-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

mass

454.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4a-hydroxy-1-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl (3S)-3-methylpentanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₄O₉

0 references

canonical SMILES

O=C(OC1CC2(O)C(=COC(OC(=O)CC(C)C)C2C31OC3)COC(=O)CC(C)CC)C

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isomeric SMILES

CC[C@@H](C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@]1(O)C[C@H](OC(C)=O)[C@]21CO1

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found in taxon

Valeriana jatamansi

1 reference

stated in

Iridoids from the rhizomes and roots of Valeriana jatamansi

Identifiers

InChI

InChI=1S/C23H34O9/c1-6-14(4)8-18(25)28-10-16-11-29-21(32-19(26)7-13(2)3)20-22(16,27)9-17(31-15(5)24)23(20)12-30-23/h11,13-14,17,20-21,27H,6-10,12H2,1-5H3/t14-,17+,20+,21+,22+,23-/m1/s1

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InChIKey

DAZJNTWSLAFFAO-KOMCEMOQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104974143)

[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4a-hydroxy-1-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl (3R)-3-methylpentanoate

Statements

Identifiers

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