(Q105218709)

English

(3R)-3beta-(beta-D-Glucopyranosyloxy)-4alpha-(hydroxymethyl)-4,8,11bbeta-trimethyl-1,2,3,4,4aalpha,5,6,9,10abeta,11,11aalpha,11b-dodecahydrophenanthro[3,2-b]furan-9-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-(hydroxymethyl)-4,8,11b-trimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one

1 reference

based on heuristic

inferred from SMILES

mass

494.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₉

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canonical SMILES

O=C1OC2C(C=C3CCC4C(C)(CO)C(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3C2)=C1C

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isomeric SMILES

CC1=C2C=C3CC[C@H]4[C@@](C)(CC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4(C)CO)[C@@H]3C[C@H]2OC1=O

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found in taxon

Strobilanthes yunnanensis

1 reference

stated in

Abietane lactones and iridoids from Goldfussia yunnanensis

Identifiers

InChI

InChI=1S/C26H38O9/c1-12-14-8-13-4-5-18-25(2,15(13)9-16(14)33-23(12)32)7-6-19(26(18,3)11-28)35-24-22(31)21(30)20(29)17(10-27)34-24/h8,15-22,24,27-31H,4-7,9-11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21+,22-,24+,25+,26-/m1/s1

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InChIKey

QDBAGRAEYGIFQC-YROIBDFMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105218709)

(3R)-3beta-(beta-D-Glucopyranosyloxy)-4alpha-(hydroxymethyl)-4,8,11bbeta-trimethyl-1,2,3,4,4aalpha,5,6,9,10abeta,11,11aalpha,11b-dodecahydrophenanthro[3,2-b]furan-9-one

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Identifiers

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