(Q105223259)

English

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

group of stereoisomers with the chemical formula C₃₆H₆₀O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

588.43898964 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₆₀O₆

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canonical SMILES

OCC1OC(OC2C=C3CCC4(C)C(CCC5(C)C(CCC54)C(C=CC(CC)C(C)C)C)C3(C)CC2)C(O)C(O)C1O

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isomeric SMILES

CC[C@H](/C=C/[C@@H](C)C1CC[C@H]2[C@]3(C)CCC4=CC(OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

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found in taxon

Haloxylon salicornicum

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stated in

In vitro antituberculosis activities of the constituents isolated from Haloxylon salicornicum

Identifiers

InChI

InChI=1S/C36H60O6/c1-8-23(21(2)3)10-9-22(4)26-11-12-28-35(26,6)18-15-29-34(5)17-14-25(19-24(34)13-16-36(28,29)7)41-33-32(40)31(39)30(38)27(20-37)42-33/h9-10,19,21-23,25-33,37-40H,8,11-18,20H2,1-7H3/b10-9+/t22-,23-,25?,26?,27-,28-,29-,30-,31+,32-,33?,34+,35-,36+/m1/s1

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InChIKey

QKPMXUUMSMHALA-CIADBTPLSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105223259)

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

Statements

Identifiers

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