(Q105380239)

English

14-Hydroxy-19-oxo-3beta,2alpha-[[(2S,3S,4S,6R)-tetrahydro-3-hydroxy-4-(beta-D-glucopyranosyloxy)-6-methyl-2H-pyran-2,3-diyl]bis(oxy)]carda-5,20(22)-dienolide

chemical compound

In more languages

Statements

type of chemical entity

0 references

10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-ene-14-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

692.304406216 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₈O₁₄

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canonical SMILES

O=CC12C(=CCC3C1CCC4(C)C(C5=CC(=O)OC5)CCC34O)CC6OC7OC(C)CC(OC8OC(CO)C(O)C(O)C8O)C7(O)OC6C2

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isomeric SMILES

C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)C(=CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1

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Asclepias tuberosa

1 reference

An androstane bioside and 3'-thiazolidinone derivatives of doubly-linked cardenolide glycosides from the roots of Asclepias tuberosa

Identifiers

InChI=1S/C35H48O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h3,10,15-16,19-25,27-31,36,39-43H,4-9,11-14H2,1-2H3/t16-,19-,20+,21-,22-,23-,24-,25+,27-,28+,29-,30+,31+,32-,33-,34+,35+/m1/s1

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ZNURLGCTNWVTID-CDHNJYTISA-N

0 references

2 references

15 September 2022

matched by identifier from

ZNURLGCTNWVTID-CDHNJYTISA-N

UniChem compound ID

1 reference

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