(Q104966348)

English

[(3aS,4R,5S,7S,8aR)-3a,4-dihydroxy-4-methyl-1-methylidene-8-oxo-7-propan-2-yl-2,3,5,6,7,8a-hexahydroazulen-5-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3a,4-Dihydroxy-4-methyl-1-methylidene-8-oxo-7-propan-2-yl-2,3,5,6,7,8a-hexahydroazulen-5-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,5R,7R,8aS)-3a,4-dihydroxy-4-methyl-1-methylidene-8-oxo-7-propan-2-yl-2,3,5,6,7,8a-hexahydroazulen-5-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₅

0 references

canonical SMILES

O=C(OC1CC(C(=O)C2C(=C)CCC2(O)C1(O)C)C(C)C)C(=CC)C

0 references

isomeric SMILES

C=C1CC[C@]2(O)[C@@H]1C(=O)[C@H](C(C)C)C[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)O

0 references

found in taxon

Blumea balsamifera

1 reference

stated in

Sesquiterpenoids and plasmin-inhibitory flavonoids from Blumea balsamifera.

Identifiers

InChI

InChI=1S/C20H30O5/c1-7-12(4)18(22)25-15-10-14(11(2)3)17(21)16-13(5)8-9-20(16,24)19(15,6)23/h7,11,14-16,23-24H,5,8-10H2,1-4,6H3/b12-7-/t14-,15-,16-,19+,20-/m0/s1

0 references

InChIKey

CNUDIHDLCLICBI-NNTJPFLESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CNUDIHDLCLICBI-NNTJPFLESA-N

(Q104966348)

[(3aS,4R,5S,7S,8aR)-3a,4-dihydroxy-4-methyl-1-methylidene-8-oxo-7-propan-2-yl-2,3,5,6,7,8a-hexahydroazulen-5-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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