(Q104917791)

English

[(1R,2S,4aS,5S)-5-hydroxy-4a,8-dimethyl-7-oxo-2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

382.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

ASFMFQBFHOUIAG-BIGXAPJESA-N

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₀O₄

0 references

canonical SMILES

O=C(OC1C2=C(C(=O)CC(O)C2(C)CCC1C(C)C)C)C=CC=3C=CC=CC3

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isomeric SMILES

CC1=C2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@]2(C)[C@@H](O)CC1=O

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found in taxon

Ambrosia artemisioides

1 reference

stated in

Eudesmanolides, 5,10-bis-epi-eudesmanes and oplopanone derivatives from Ambrosia artemisioides

Identifiers

InChI

InChI=1S/C24H30O4/c1-15(2)18-12-13-24(4)20(26)14-19(25)16(3)22(24)23(18)28-21(27)11-10-17-8-6-5-7-9-17/h5-11,15,18,20,23,26H,12-14H2,1-4H3/b11-10+/t18-,20-,23+,24+/m0/s1

0 references

InChIKey

ASFMFQBFHOUIAG-MCHCQPKFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ASFMFQBFHOUIAG-MCHCQPKFSA-N

(Q104917791)

[(1R,2S,4aS,5S)-5-hydroxy-4a,8-dimethyl-7-oxo-2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate

Statements

Identifiers

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