(Q105009424)

English

[(1aR,4R,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2-oxo-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-4-yl] (2R)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

aristolane-type sesquiterpenoid

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mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

O=C(OC1C2=CC(=O)C3C(C2(C)C(C)CC1)C3(C)C)C(C)CC

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isomeric SMILES

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

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found in taxon

Nardostachys jatamansi

1 reference

stated in

Guaiane- and aristolane-type sesquiterpenoids of Nardostachys chinensis roots

Identifiers

InChI

InChI=1S/C20H30O3/c1-7-11(2)18(22)23-15-9-8-12(3)20(6)13(15)10-14(21)16-17(20)19(16,4)5/h10-12,15-17H,7-9H2,1-6H3/t11-,12-,15-,16-,17+,20+/m1/s1

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InChIKey

GJIZSYSMPFMNED-CKTIHQIMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GJIZSYSMPFMNED-CKTIHQIMSA-N

(Q105009424)

[(1aR,4R,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2-oxo-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-4-yl] (2R)-2-methylbutanoate

Statements

Identifiers

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