(Q105258923)

English

(1S,4S,5S,8R,9R,12R,13S,16S)-5,9,17,17-tetramethyl-8-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one

chemical compound

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instance of

type of chemical entity

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subclass of

(1S,4S,5S,8R,9R,13S,16S)-5,9,17,17-tetramethyl-8-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one

1 reference

based on heuristic

inferred from SMILES

mass

614.381868688 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₄O₈

0 references

canonical SMILES

O=C1OC23C=CC4C1(CCC5(C)C(CCC45C)C(C)CC=CC(=C)C)C3CCC(OC6OC(CO)C(O)C(O)C6O)C2(C)C

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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(=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

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

Identifiers

InChI

InChI=1S/C36H54O8/c1-20(2)9-8-10-21(3)22-13-15-34(7)24-14-16-36-25(35(24,31(41)44-36)18-17-33(22,34)6)11-12-26(32(36,4)5)43-30-29(40)28(39)27(38)23(19-37)42-30/h8-9,14,16,21-30,37-40H,1,10-13,15,17-19H2,2-7H3/b9-8+/t21-,22-,23-,24+,25+,26+,27-,28+,29-,30+,33-,34+,35-,36+/m1/s1

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InChIKey

SRCUTJGBMBTKOT-VWMRNVPLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRCUTJGBMBTKOT-VWMRNVPLSA-N

(Q105258923)

(1S,4S,5S,8R,9R,12R,13S,16S)-5,9,17,17-tetramethyl-8-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one

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Identifiers

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