(Q105324775)

English

[(3R,5S,7R,9S,10S,12R,14S,15S,18R,19R,20R,22S,23R)-14-formyl-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-en-9-yl] acetate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[14-formyl-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-en-9-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

588.2570621 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₀O₁₁

0 references

canonical SMILES

O=CC12C(=CCC3C1CCC4(C)C(C5=CC(=O)OC5)C(O)CC34O)CC6OC7OC(C)CC(OC(=O)C)C7(O)OC6C2

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@@H](C)O[C@H]2O[C@@H]3CC4=CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)[C@H](O)C[C@]56O)[C@@]4(C=O)C[C@H]3O[C@@]12O

0 references

found in taxon

Asclepias vestita

1 reference

stated in

Cardenolide glycosides with 5,6-unsaturation from Asclepias vestita

Identifiers

InChI

InChI=1S/C31H40O11/c1-15-8-24(40-16(2)33)31(37)27(39-15)41-22-10-18-4-5-20-19(29(18,14-32)12-23(22)42-31)6-7-28(3)26(17-9-25(35)38-13-17)21(34)11-30(20,28)36/h4,9,14-15,19-24,26-27,34,36-37H,5-8,10-13H2,1-3H3/t15-,19+,20-,21-,22-,23-,24+,26+,27+,28-,29-,30+,31+/m1/s1

0 references

InChIKey

XBXHDQRWHXSYNH-MQXAYUHBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBXHDQRWHXSYNH-MQXAYUHBSA-N

(Q105324775)

[(3R,5S,7R,9S,10S,12R,14S,15S,18R,19R,20R,22S,23R)-14-formyl-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-en-9-yl] acetate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)