(Q105137081)

English

19-Norlanosta-6,23-diene-9-carboxaldehyde, 3-(beta-D-glucopyranosyloxy)-5-hydroxy-25-methoxy-, cyclic (9R)-9,5-(methyl acetal), (3beta,5beta,9beta,10alpha,23E)-

chemical compound

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instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[[19-methoxy-8-(6-methoxy-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]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(1S,4S,5S,8R,9R,13S,16S,19R)-19-methoxy-8-[(2R,4E)-6-methoxy-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}oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-(hydroxymethyl)-6-({19-methoxy-8-[(4E)-6-methoxy-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)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-{[(4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(2R,4E)-6-methoxy-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}oxane-3,4,5-triol

1 reference

1 reference

1 reference

662.439383564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(19R,23E)-3beta-(beta-D-Allopyranosyloxy)-5beta,19-epoxy-19,25-dimethoxycucurbita-6,23-diene

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(E,2R)-6-methoxy-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]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4S,5S,8R,9R,12S,13S,16S,19R)-19-methoxy-8-[(E,2R)-6-methoxy-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]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₆₂O₉

0 references

canonical SMILES

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

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isomeric SMILES

CO[C@@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]41C)[C@@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(C)C

0 references

found in taxon

Momordica charantia

4 references

stated in

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

stated in

Cucurbitane-type triterpene glycosides from the fruits of Momordica charantia

stated in

Medicinal foodstuffs. XXI. Structures of new cucurbitane-type triterpene glycosides, goyaglycosides-a, -b, -c, -d, -e, -f, -g, and -h, and new oleanane-type triterpene saponins, goyasaponins I, II, and III, from the fresh fruit of Japanese Momordica

stated in

Structures of new cucurbitane-type triterpenes and glycosides, karavilagenins and karavilosides, from the dried fruit of Momordica charantia L. in Sri Lanka

Identifiers

InChI

InChI=1S/C38H62O9/c1-22(11-10-16-33(2,3)44-9)23-14-17-36(7)25-15-18-38-26(37(25,32(43-8)47-38)20-19-35(23,36)6)12-13-27(34(38,4)5)46-31-30(42)29(41)28(40)24(21-39)45-31/h10,15-16,18,22-32,39-42H,11-14,17,19-21H2,1-9H3/b16-10+/t22-,23-,24-,25+,26+,27+,28-,29+,30-,31+,32-,35-,36+,37+,38-/m1/s1

0 references

InChIKey

JYKQEJLWLRMCRC-ZXMYDIDRSA-N

0 references

CAS Registry Number

333332-49-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JYKQEJLWLRMCRC-ZXMYDIDRSA-N

1 reference

1 reference

matched by identifier from

InChIKey

JYKQEJLWLRMCRC-ZXMYDIDRSA-N

(Q105137081)

19-Norlanosta-6,23-diene-9-carboxaldehyde, 3-(beta-D-glucopyranosyloxy)-5-hydroxy-25-methoxy-, cyclic (9R)-9,5-(methyl acetal), (3beta,5beta,9beta,10alpha,23E)-

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