(Q105291798)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(hydroxymethyl)-6-[6-methyl-2-(2,3,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-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

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₆₂O₉

0 references

canonical SMILES

OCC1OC(OC(C)(CCC=C(C)C)C2CCC3(C)C2C(O)CC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)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]1[C@@H](O)C[C@@H]1[C@]3(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]3CC[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)10-9-13-36(8,45-31-29(42)28(41)27(40)23(18-37)44-31)20-11-14-35(7)26(20)21(38)16-25-33(5)17-22(39)30(43)32(3,4)24(33)12-15-34(25,35)6/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-/m0/s1

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InChIKey

VRIIDCOLNSFSHH-OXABDINSSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

VRIIDCOLNSFSHH-OXABDINSSA-N

1 reference

(Q105291798)

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

Statements

Identifiers

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