(Q105146450)

English

[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 2-hydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl 2-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

358.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₄

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canonical SMILES

O=C(OC1CC(=CCC2(C)CCC(O)(C(C)C)C12)C)C=3C=CC=CC3O

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isomeric SMILES

CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccccc2O)C1

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found in taxon

Ferula elaeochytris

1 reference

stated in

Six sesquiterpene alcohol esters from ferula elaeochytris

Identifiers

InChI

InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-7-5-6-8-17(16)23/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1

0 references

InChIKey

KVBYAXSJSBEUHY-YUVXSKOASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KVBYAXSJSBEUHY-YUVXSKOASA-N

(Q105146450)

[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 2-hydroxybenzoate

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Identifiers

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