(Q104992371)

English

(4E,5R)-4-[2-[(1R,4aR,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-hydroxyoxolan-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-hydroxy-4-[2-[6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-3-one

1 reference

based on heuristic

inferred from SMILES

mass

512.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₀O₁₀

0 references

canonical SMILES

O=C1C(=CCC2C(=C)CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)C(O)CCC23C)C(O)OC1

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isomeric SMILES

C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C/C=C1/C(=O)CO[C@H]1O

0 references

found in taxon

Andrographis paniculata

1 reference

stated in

Nine Newent-Labdane Diterpenoids from the Aerial Parts ofAndrographis paniculata

Identifiers

InChI

InChI=1S/C26H40O10/c1-13-4-7-18-25(2,15(13)6-5-14-16(28)11-34-23(14)33)9-8-19(29)26(18,3)12-35-24-22(32)21(31)20(30)17(10-27)36-24/h5,15,17-24,27,29-33H,1,4,6-12H2,2-3H3/b14-5-/t15-,17-,18-,19-,20-,21+,22-,23-,24-,25+,26+/m1/s1

0 references

InChIKey

FAONOYVYMFUUOU-IAXFXGECSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FAONOYVYMFUUOU-IAXFXGECSA-N

(Q104992371)

(4E,5R)-4-[2-[(1R,4aR,5R,6R,8aS)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-hydroxyoxolan-3-one

Statements

Identifiers

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