(Q104995288)

English

(3S,3abeta,6abeta,9abeta,9balpha)-Decahydro-4alpha-hydroxy-6-methylene-3beta,9beta-dimethyl-8alpha-(beta-D-glucopyranosyloxy)azuleno[4,5-b]furan-2(3H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-Hydroxy-3,9-dimethyl-6-methylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

428.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(alphaS,2S,3abeta,8abeta)-alpha,3alpha-Dimethyl-2alpha-(beta-D-glucopyranosyloxy)-4beta,6beta-dihydroxy-8-methylenedecahydroazulene-5alpha-acetic acid 5,4-lactone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,3aR,4R,6aR,8S,9R,9aR,9bR)-4-hydroxy-3,9-dimethyl-6-methylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one

1 reference

based on heuristic

inferred from InChI

(3S,3aR,4S,6aR,8S,9S,9aR,9bR)-4-hydroxy-3,9-dimethyl-6-methylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₉

0 references

canonical SMILES

O=C1OC2C(C(O)CC(=C)C3CC(OC4OC(CO)C(O)C(O)C4O)C(C)C23)C1C

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isomeric SMILES

C=C1C[C@@H](O)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12

0 references

found in taxon

Smooth hawksbeard

1 reference

stated in

Sesquiterpene lactone glycosides from Crepis capillaris

Crepis mollis

1 reference

stated in

Sesquiterpenoids and phenolics from Crepis mollis

Crepis pyrenaica

1 reference

stated in

Sesquiterpene lactone glycosides from Crepis pyrenaica

Identifiers

InChI

InChI=1S/C21H32O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h8-19,21-26H,1,4-6H2,2-3H3/t8-,9+,10+,11-,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1

0 references

InChIKey

FHJCIEPIVAMXRP-JSBOQLKZSA-N

0 references

CAS Registry Number

93395-32-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FHJCIEPIVAMXRP-JSBOQLKZSA-N

1 reference

1 reference

matched by identifier from

InChIKey

FHJCIEPIVAMXRP-JSBOQLKZSA-N

(Q104995288)

(3S,3abeta,6abeta,9abeta,9balpha)-Decahydro-4alpha-hydroxy-6-methylene-3beta,9beta-dimethyl-8alpha-(beta-D-glucopyranosyloxy)azuleno[4,5-b]furan-2(3H)-one

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Identifiers

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