(Q105346500)

English

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,7R,8R,9S,10S,13R,14S,17R)-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(hydroxymethyl)-6-[[7-methoxy-17-(6-methoxy-6-methylhept-4-en-2-yl)-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

648.460119008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(3S,7R,8R,9S,10S,13R,14S,17R)-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

1 reference

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,7S,8R,9S,10S,13R,14S,17R)-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₆₄O₈

0 references

canonical SMILES

OCC1OC(OC2CCC3C(=CC(OC)C4C3(C)CCC5(C)C(CCC45C)C(C)CC=CC(OC)(C)C)C2(C)C)C(O)C(O)C1O

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isomeric SMILES

CO[C@@H]1C=C2[C@@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]3(C)[C@H]12

0 references

found in taxon

Momordica charantia

1 reference

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/C38H64O8/c1-22(12-11-16-34(2,3)44-10)23-15-17-38(8)32-26(43-9)20-25-24(36(32,6)18-19-37(23,38)7)13-14-28(35(25,4)5)46-33-31(42)30(41)29(40)27(21-39)45-33/h11,16,20,22-24,26-33,39-42H,12-15,17-19,21H2,1-10H3/b16-11+/t22-,23-,24-,26-,27-,28+,29-,30+,31-,32-,33+,36+,37-,38+/m1/s1

0 references

InChIKey

YCUBHAWXGLKZIA-WJCRZFIDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YCUBHAWXGLKZIA-WJCRZFIDSA-N

(Q105346500)

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,7R,8R,9S,10S,13R,14S,17R)-7-methoxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

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