(Q105120379)

English

(2R,3R,4S,5S,6R)-2-[[(3S,5R,9R,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alpha-Spinasterol glucoside

1 reference

based on heuristic

inferred from SMILES

mass

574.423339576 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Spinasteryl glucoside

1 reference

based on heuristic

inferred from InChI

(24R)-3beta-(beta-D-Glucopyranosyloxy)-5alpha-stigmasta-7,22-diene

1 reference

based on heuristic

inferred from InChI

(2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₈O₆

0 references

canonical SMILES

OCC1OC(OC2CCC3(C)C4C(=CCC3C2)C5CCC(C(C=CC(CC)C(C)C)C)C5(C)CC4)C(O)C(O)C1O

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isomeric SMILES

CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Ardisia mamillata

1 reference

stated in

Triterpenoid saponins from Ardisia mamillata

Identifiers

InChI

InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+/t21-,22+,23+,24-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35+/m0/s1

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InChIKey

ITYGLICZKGWOPA-PIXMJVCGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ITYGLICZKGWOPA-PIXMJVCGSA-N

(Q105120379)

(2R,3R,4S,5S,6R)-2-[[(3S,5R,9R,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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