(Q105311533)

English

17-[5-[4-Hydroxy-3-(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol

group of stereoisomers with the chemical formula C₃₉H₆₈O₁₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

760.460906856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₈O₁₄

0 references

canonical SMILES

OCC1OC(OC(CCC(C)C2CC(O)C3C4(O)CC(O)C5C(O)C(O)CCC5(C)C4CCC23C)C(C)C)C(OC6OCC(OC)C(O)C6OC)C1O

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found in taxon

Certonardoa semiregularis

1 reference

stated in

2002, Volume 65 New Saponins from the Starfish Certonardoa semiregularis

Identifiers

InChI

InChI=1S/C39H68O14/c1-18(2)24(51-36-33(30(45)25(16-40)52-36)53-35-32(49-7)31(46)26(48-6)17-50-35)9-8-19(3)20-14-22(42)34-37(20,4)13-11-27-38(5)12-10-21(41)29(44)28(38)23(43)15-39(27,34)47/h18-36,40-47H,8-17H2,1-7H3

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InChIKey

WRQWUNHMUXGXID-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WRQWUNHMUXGXID-UHFFFAOYSA-N

(Q105311533)

17-[5-[4-Hydroxy-3-(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol

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Identifiers

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