(Q105265802)

English

methyl 3-[(3S,3aR,5aS,6S,7S,9aR,9bR)-3-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 3-[3-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

1 reference

based on heuristic

inferred from SMILES

mass

488.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Methyl isoeichlerianate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl 3-[(3S,3aR,5aS,6S,7S,9aR,9bR)-3-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₂O₄

0 references

canonical SMILES

O=C(OC)CCC1(C)C(C(=C)C)CCC2(C)C1CCC3C(CCC32C)C4(OC(CC4)C(O)(C)C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC

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found in taxon

Cabralea canjerana

1 reference

stated in

Cabralea eichleriana dc. (meliaceae)—I structure and stereochemistry of wood extractives

Identifiers

InChI

InChI=1S/C31H52O4/c1-20(2)21-12-18-30(7)24(28(21,5)16-15-26(32)34-9)11-10-22-23(13-17-29(22,30)6)31(8)19-14-25(35-31)27(3,4)33/h21-25,33H,1,10-19H2,2-9H3/t21-,22+,23-,24-,25+,28-,29+,30+,31-/m0/s1

0 references

InChIKey

TWFMQZXDUHCZFN-VMGMBJMHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TWFMQZXDUHCZFN-VMGMBJMHSA-N

(Q105265802)

methyl 3-[(3S,3aR,5aS,6S,7S,9aR,9bR)-3-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate

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