(Q105307981)

English

[(4S,4aR,5S,8R,8aR)-4-acetyloxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] 3-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(4-acetyloxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl) 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

374.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₅

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canonical SMILES

O=C(OC1CCC(C)C2(C)C(OC(=O)C)C3=C(OC=C3C)CC12)C=C(C)C

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isomeric SMILES

CC(=O)O[C@@H]1c2c(C)coc2C[C@H]2[C@H](OC(=O)C=C(C)C)CC[C@H](C)[C@@]12C

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found in taxon

Gynoxys acostae

1 reference

stated in

Furanoeremophilanes from Gynoxys species

Gynoxys nitida

1 reference

stated in

Furanoeremophilanes from Gynoxys species

Identifiers

InChI

InChI=1S/C22H30O5/c1-12(2)9-19(24)27-17-8-7-14(4)22(6)16(17)10-18-20(13(3)11-25-18)21(22)26-15(5)23/h9,11,14,16-17,21H,7-8,10H2,1-6H3/t14-,16-,17+,21+,22+/m0/s1

0 references

InChIKey

WLIJCKKLLBSAMW-INMDSIMCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WLIJCKKLLBSAMW-INMDSIMCSA-N

(Q105307981)

[(4S,4aR,5S,8R,8aR)-4-acetyloxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] 3-methylbut-2-enoate

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