(Q105170758)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

Saringosterol 3-glucoside

1 reference

based on heuristic

inferred from SMILES

mass

590.418254196 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₈O₇

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canonical SMILES

OCC1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCC(O)(C=C)C(C)C)C3(C)CC2)C(O)C(O)C1O

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isomeric SMILES

C=C[C@@](O)(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[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

Panax ginseng

1 reference

stated in

Chemical constituents from seeds of Panax ginseng: structure of new dammarane-type triterpene ketone, panaxadione, and hplc comparisons of seeds and flesh

Identifiers

InChI

InChI=1S/C35H58O7/c1-7-35(40,20(2)3)17-12-21(4)25-10-11-26-24-9-8-22-18-23(13-15-33(22,5)27(24)14-16-34(25,26)6)41-32-31(39)30(38)29(37)28(19-36)42-32/h7-8,20-21,23-32,36-40H,1,9-19H2,2-6H3/t21-,23+,24+,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-,35-/m1/s1

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InChIKey

MRNRLEVLPFVWRY-IZVVMWEZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MRNRLEVLPFVWRY-IZVVMWEZSA-N

(Q105170758)

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

Statements

Identifiers

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