(Q104968305)

English

methyl (1S,4aS,5S,8aS)-5-[2-[(2R,3S)-3-ethenyl-3-methyloxiran-2-yl]ethyl]-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1-carboxylate

chemical compound

In more languages

Statements

type of chemical entity

0 references

Methyl 5-[2-(3-ethenyl-3-methyloxiran-2-yl)ethyl]-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

332.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4aS,5S,8aS)-5-[2-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]ethyl]-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,4aS,5S,8aS)-5-[2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethyl]-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1S,4aS,5S,8aS)-5-[2-[(2S,3R)-3-ethenyl-3-methyloxiran-2-yl]ethyl]-1-methyl-6-methylidene-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₃

0 references

canonical SMILES

O=C(OC)C1(C)CCCC2C(C(=C)CCC21)CCC3OC3(C=C)C

0 references

isomeric SMILES

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

0 references

Mikania alvimii

1 reference

Ent-labdanes from Mikania alvimii

Identifiers

InChI=1S/C21H32O3/c1-6-21(4)18(24-21)12-10-15-14(2)9-11-17-16(15)8-7-13-20(17,3)19(22)23-5/h6,15-18H,1-2,7-13H2,3-5H3/t15-,16+,17+,18-,20+,21+/m1/s1

0 references

CQVYLMHTMDRLFX-SBPVMYIFSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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