(Q105257515)

English

(1-{5-[({3-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-5-(1,2-dihydroxyethyl)-4-hydroxyoxolan-2-yl}oxy)methyl]-6-methylhept-3-en-2-yl}-3,3b,6,7-tetrahydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-yl)oxidanesulfonic acid

group of stereoisomers with the chemical formula C₄₀H₆₈O₁₈S

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Statements

instance of

group of stereoisomers

0 references

1 reference

868.412636336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₈O₁₈S

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canonical SMILES

O=S(=O)(O)OC1CC2(O)C(CCC3(C)C(CC(O)C23)C(C=CC(COC4OC(C(O)CO)C(O)C4OC5OCC(O)C(O)C5OC)C(C)C)C)C6(C)CCC(O)C(O)C16

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found in taxon

Aster conspicuus

1 reference

stated in

Isolation, structure elucidation, and biological activity of the steroid oligoglycosides and polyhydroxysteroids from the Antarctic starfish Acodontaster conspicuus.

Eurybia conspicua

1 reference

stated in

Isolation, structure elucidation, and biological activity of the steroid oligoglycosides and polyhydroxysteroids from the Antarctic starfish Acodontaster conspicuus.

Identifiers

InChI

InChI=1S/C40H68O18S/c1-18(2)20(16-54-37-34(31(48)32(56-37)24(44)15-41)57-36-33(53-6)30(47)25(45)17-55-36)8-7-19(3)21-13-23(43)35-38(21,4)12-10-27-39(5)11-9-22(42)29(46)28(39)26(14-40(27,35)49)58-59(50,51)52/h7-8,18-37,41-49H,9-17H2,1-6H3,(H,50,51,52)

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InChIKey

SPPURJGRKYBQMK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SPPURJGRKYBQMK-UHFFFAOYSA-N

(Q105257515)

(1-{5-[({3-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-5-(1,2-dihydroxyethyl)-4-hydroxyoxolan-2-yl}oxy)methyl]-6-methylhept-3-en-2-yl}-3,3b,6,7-tetrahydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-yl)oxidanesulfonic acid

Statements

Identifiers

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