(Q105132840)

English

2-[[3-hydroxy-17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₉H₆₆O₁₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

758.445256792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₆O₁₄

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canonical SMILES

OCC1OC(OC2CC3C4CC=C5CC(O)CC(OC6OC(CO)C(O)C(O)C6O)C5(C)C4CCC3(C)C2C(C)C(O)CCC(C)C)C(O)C(O)C1O

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found in taxon

Ornithogalum candicans

1 reference

stated in

Cholestane glycosides from the bulbs of Galtonia candicans and their cytotoxicity

Identifiers

InChI

InChI=1S/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3

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InChIKey

JPJDIOVDAAVUNF-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JPJDIOVDAAVUNF-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0303716

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JPJDIOVDAAVUNF-UHFFFAOYSA-N

(Q105132840)

2-[[3-hydroxy-17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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