(Q105219651)

English

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

chemical compound

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type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

600.402604132 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₆H₅₆O₇

0 references

canonical SMILES

OCC1OC(OC2CCC3C4(OCC53CCC6(C)C(CCC6(C)C5C=C4)C(C)CC=CC(=C)C)C2(C)C)C(O)C(O)C1O

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isomeric SMILES

C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@]45OC[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

0 references

found in taxon

Momordica charantia

1 reference

stated in

Cucurbitane-type triterpenoids from the fruits of Momordica charantia and their cancer chemopreventive effects

Identifiers

InChI

InChI=1S/C36H56O7/c1-21(2)9-8-10-22(3)23-13-15-34(7)25-14-16-36-26(35(25,20-41-36)18-17-33(23,34)6)11-12-27(32(36,4)5)43-31-30(40)29(39)28(38)24(19-37)42-31/h8-9,14,16,22-31,37-40H,1,10-13,15,17-20H2,2-7H3/b9-8+/t22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,33-,34+,35+,36+/m1/s1

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InChIKey

QFMGCFIFVIVJLB-IIAZFEKKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QFMGCFIFVIVJLB-IIAZFEKKSA-N

(Q105219651)

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

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Identifiers

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