(Q104945793)

English

(2S,3R,4S,5R)-2-[[(1R,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-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

chemical compound

In more languages

Statements

type of chemical entity

0 references

2-[[2-Hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-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

1 reference

based on heuristic

inferred from SMILES

2-{[(1S,3S,4R,7R,12R,14S,17R,18S,21S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-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

1 reference

based on heuristic

inferred from SMILES

(2S,3R,4S,5R)-2-{[(1R,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-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

1 reference

based on heuristic

inferred from SMILES

620.392433372 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,4S,5S)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

cimigenol xyloside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

cimiracemoside c

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,4S,5S)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(23R,24R)-3beta-(beta-D-Xylopyranosyloxy)-16beta,23:16,24-diepoxycycloartane-15alpha,25-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₆O₉

0 references

canonical SMILES

OC1COC(OC2CCC34CC54CCC6(C)C7C(C)CC8OC7(OC8C(O)(C)C)C(O)C6(C)C5CCC3C2(C)C)C(O)C1O

0 references

isomeric SMILES

C[C@@H]1C[C@H]2O[C@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13

0 references

Actaea racemosa

1 reference

Actaeaepoxide 3-O-beta-D-xylopyranoside, a new cycloartane glycoside from the rhizomes of Actaea racemosa (Cimicifuga racemosa).

Identifiers

InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35-/m1/s1

0 references

BTPYUWOBZFGKAI-RFAIARLBSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

BTPYUWOBZFGKAI-RFAIARLBSA-N

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