(Q104969676)

English

[(1R,3S,4R,4aR,8aR)-3-acetyloxy-4-hydroxy-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

0 references

mass

338.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₃₀O₅

0 references

canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)CC=C(CC2C1(O)C)C(C)C)C

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isomeric SMILES

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

0 references

found in taxon

Pallenis spinosa

1 reference

stated in

Dihydroxypallenone, a sesquiterpene with a new carbon skeleton fromPallenis spinosa

Identifiers

InChI

InChI=1S/C19H30O5/c1-11(2)14-7-8-18(5)15(9-14)19(6,22)17(24-13(4)21)10-16(18)23-12(3)20/h7,11,15-17,22H,8-10H2,1-6H3/t15-,16-,17+,18-,19-/m1/s1

0 references

InChIKey

CTASSTCAVUQMJI-UJWQCDCRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CTASSTCAVUQMJI-UJWQCDCRSA-N

(Q104969676)

[(1R,3S,4R,4aR,8aR)-3-acetyloxy-4-hydroxy-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] acetate

Statements

Identifiers

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