(Q105245840)

English

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(2R,3R,5R,8R,9S,10R,12R,13R,14S,17S)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(hydroxymethyl)-6-[6-methyl-2-(2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-5-en-2-yl]oxyoxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

638.439383564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₆₂O₉

0 references

canonical SMILES

OCC1OC(OC(C)(CCC=C(C)C)C2CCC3(C)C4CCC5C(C)(C)C(O)C(O)CC5(C)C4CC(O)C23C)C(O)C(O)C1O

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isomeric SMILES

CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3C[C@@H](O)[C@]12C

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found in taxon

Gynostemma pentaphyllum

1 reference

stated in

Five New Ocotillone-Type Saponins fromGynostemmapentaphyllum

Identifiers

InChI

InChI=1S/C36H62O9/c1-19(2)10-9-14-35(7,45-31-29(42)28(41)27(40)23(18-37)44-31)25-13-15-34(6)20-11-12-24-32(3,4)30(43)22(38)17-33(24,5)21(20)16-26(39)36(25,34)8/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23-,24+,25-,26-,27-,28+,29-,30+,31+,33-,34+,35+,36+/m1/s1

0 references

InChIKey

RUVWABZVHJXINJ-RIWFQAAKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RUVWABZVHJXINJ-RIWFQAAKSA-N

(Q105245840)

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(2R,3R,5R,8R,9S,10R,12R,13R,14S,17S)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol

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Identifiers

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