(Q105345717)

English

(2S,3R,4S,5R)-2-[[(1R,3S,4S,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-methoxypropan-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

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[[22-(2-Methoxypropan-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

mass

618.413168816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₈O₈

0 references

canonical SMILES

OC1COC(OC2CCC34CC54CCC6(C)C7C(C)CC8OC7(OC8C(OC)(C)C)CC6(C)C5CCC3C2(C)C)C(O)C1O

0 references

isomeric SMILES

COC(C)(C)[C@H]1O[C@]23C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@H]2[C@H](C)C[C@H]1O3

0 references

found in taxon

Actaea racemosa

1 reference

stated in

Cimiracemoside a: A new cyclolanostanol xyloside from the rhizome of Cimicifuga racemosa

Identifiers

InChI

InChI=1S/C36H58O8/c1-19-15-21-28(31(4,5)40-8)44-36(43-21)17-33(7)23-10-9-22-30(2,3)24(42-29-26(39)25(38)20(37)16-41-29)11-12-34(22)18-35(23,34)14-13-32(33,6)27(19)36/h19-29,37-39H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24+,25+,26-,27-,28+,29+,32-,33+,34-,35+,36-/m1/s1

0 references

InChIKey

YAZDNQSNQDPZEA-XOYUCXOGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YAZDNQSNQDPZEA-XOYUCXOGSA-N

(Q105345717)

(2S,3R,4S,5R)-2-[[(1R,3S,4S,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-methoxypropan-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

Statements

Identifiers

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