(Q115951676)

English

(2R,3R,4R,5S,6R)-2-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-hydroxy-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

cucurbitane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

634.408083436 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5S,6R)-2-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-hydroxy-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₈O₉

0 references

canonical SMILES

OCC1OC(OC2CCC3C4(OC(O)C53CCC6(C)C(CCC6(C)C5C=C4)C(C)CC=CC(O)(C)C)C2(C)C)C(O)C(O)C1O

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isomeric SMILES

C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45O[C@@H](O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C5(C)C

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found in taxon

Momordica charantia

1 reference

stated in

Triterpenes, A sterol and A monocyclic alcohol from Momordica charantia

Identifiers

InChI

InChI=1S/C36H58O9/c1-20(9-8-14-31(2,3)42)21-12-15-34(7)23-13-16-36-24(35(23,30(41)45-36)18-17-33(21,34)6)10-11-25(32(36,4)5)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,13-14,16,20-30,37-42H,9-12,15,17-19H2,1-7H3/b14-8+/t20-,21-,22-,23+,24+,25+,26-,27-,28-,29+,30-,33-,34+,35+,36-/m1/s1

0 references

InChIKey

MWDOAJPNPCZJEI-STTRYPJLSA-N

0 references

1 reference

2 January 2023

inferred from InChIKey

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

MWDOAJPNPCZJEI-STTRYPJLSA-N

(Q115951676)

(2R,3R,4R,5S,6R)-2-[[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-hydroxy-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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