(Q105226653)

English

(2S,3R,4S,5R)-2-[[(1R,9S,12R,14S,17R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17-tetramethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₄H₅₄O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

606.3767833079999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₄H₅₄O₉

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canonical SMILES

OC1COC(OC2CCC34CC54CCC6(C)C7CCC8OC7(OC8C(O)(C)C)C(O)C6(C)C5CCC3C2(C)C)C(O)C1O

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isomeric SMILES

CC(C)(O)[C@H]1O[C@]23OC1CCC2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C5CCC4C1(C)C3O

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found in taxon

Actaea racemosa

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stated in

Extraction Methods Play a Critical Role in Chemical Profile and Biological Activities of Black Cohosh

stated in

The value of plant collections in ethnopharmacology: a case study of an 85-year-old black cohosh (Actaea racemosa L.) sample

Identifiers

InChI

InChI=1S/C34H54O9/c1-28(2)19-9-10-21-31(6)27(38)34-20(8-7-18(42-34)25(43-34)29(3,4)39)30(31,5)13-14-33(21)16-32(19,33)12-11-22(28)41-26-24(37)23(36)17(35)15-40-26/h17-27,35-39H,7-16H2,1-6H3/t17-,18?,19?,20?,21?,22+,23+,24-,25+,26+,27?,30-,31?,32-,33+,34-/m1/s1

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InChIKey

QRUZGQBMCJGMTQ-XCZDXBMQSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

QRUZGQBMCJGMTQ-XCZDXBMQSA-N

1 reference

(Q105226653)

(2S,3R,4S,5R)-2-[[(1R,9S,12R,14S,17R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17-tetramethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

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Identifiers

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