(Q105363009)

English

[(2R,4aR,5S,6S,8aR)-1,1,4a,6-tetramethyl-5'-(2-oxoethylidene)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[1,1,4a,6-tetramethyl-5'-(2-oxoethylidene)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

348.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,4aR,5S,5'Z,6S,8aR)-1,1,4a,6-tetramethyl-5'-(2-oxoethylidene)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₄

0 references

canonical SMILES

O=CC=C1OC2(CC1)C(C)CCC3C(C)(C)C(OC(=O)C)CCC32C

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isomeric SMILES

CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H](C)[C@@]23CCC(=CC=O)O3)C1(C)C

0 references

found in taxon

Vitex negundo

1 reference

stated in

Sesquiterpenoids and norterpenoids from Vitex negundo

Identifiers

InChI

InChI=1S/C21H32O4/c1-14-6-7-17-19(3,4)18(24-15(2)23)9-11-20(17,5)21(14)12-8-16(25-21)10-13-22/h10,13-14,17-18H,6-9,11-12H2,1-5H3/t14-,17+,18+,20+,21-/m0/s1

0 references

InChIKey

YUIOUOHLEHUTMC-RUXLODGWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YUIOUOHLEHUTMC-RUXLODGWSA-N

(Q105363009)

[(2R,4aR,5S,6S,8aR)-1,1,4a,6-tetramethyl-5'-(2-oxoethylidene)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate

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