(Q105302172)

English

(3S,7S,8S,9R,10S,13R,14S,17R)-3,7-dihydroxy-4,4,13,14-tetramethyl-17-[(2R,4R)-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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1 reference

634.408083436 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₈O₉

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canonical SMILES

O=CC12CCC3(C)C(CCC3(C)C2C(O)C=C4C1CCC(O)C4(C)C)C(C)CC(OC5OC(CO)C(O)C(O)C5O)C=C(C)C

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isomeric SMILES

CC(C)=C[C@@H](C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Momordica charantia

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stated in

Structures of momordicines I, II and III, the bitter principles in the leaves and vines of Momordica charantia L.

Identifiers

InChI

InChI=1S/C36H58O9/c1-19(2)14-21(44-32-30(43)29(42)28(41)26(17-37)45-32)15-20(3)22-10-11-35(7)31-25(39)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,18,20-23,25-32,37,39-43H,8-13,15,17H2,1-7H3/t20-,21+,22-,23+,25+,26-,27+,28-,29+,30-,31+,32-,34-,35+,36-/m1/s1

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InChIKey

WCYLDCDQWJYEPO-FFYRHSHSSA-N

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1 reference

15 September 2022

(Q105302172)

(3S,7S,8S,9R,10S,13R,14S,17R)-3,7-dihydroxy-4,4,13,14-tetramethyl-17-[(2R,4R)-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde

Statements

Identifiers

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