(Q104953056)

English

3alpha,8alpha-Dihydroxy-1alphaH,5alphaH,6betaH,11betaH-guai-4(15),10(14)-dien-12,6-olide 8-O-2-hydroxymethylacrylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(8-hydroxy-3-methyl-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-4-yl) 2-(hydroxymethyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

348.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,3aS,4S,6aS,8S,9aR,9bR)-8-hydroxy-3-methyl-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3R,3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3-methyl-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄O₆

0 references

canonical SMILES

O=C(OC1CC(=C)C2CC(O)C(=C)C2C3OC(=O)C(C)C13)C(=C)CO

0 references

isomeric SMILES

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

0 references

found in taxon

Saussurea laniceps

1 reference

stated in

Sesquiterpenoids from Saussurea laniceps

Identifiers

InChI

InChI=1S/C19H24O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h11-17,20-21H,1-3,5-7H2,4H3/t11-,12-,13+,14-,15-,16+,17+/m0/s1

0 references

InChIKey

CCBNOSMFTUQQLZ-OPCFMFSHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CCBNOSMFTUQQLZ-OPCFMFSHSA-N

1 reference

(Q104953056)

3alpha,8alpha-Dihydroxy-1alphaH,5alphaH,6betaH,11betaH-guai-4(15),10(14)-dien-12,6-olide 8-O-2-hydroxymethylacrylate

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Identifiers

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