(Q27139236)

Strospeside (English)

Cpfnikyedjfrat-ypovqpidsa-

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

3-[(3R,5R,8R,9S,10S,13S,14R,16S,17S)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

1 reference

3-[(3S,5R,8R,9S,10S,13R,14S,16R,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

1 reference

3-[(3S,5R,8R,9S,10S,13R,14S,16R,17R)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

1 reference

chemical formula

C₃₀H₄₆O₉

1 reference

Strospeside (English)

7 October 2016

canonical SMILES

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC)O

1 reference

Strospeside (English)

7 October 2016

isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)OC)O

1 reference

High-performance liquid chromatographic determination of cardenolides in Digitalis leaves after solid-phase extraction

Strospeside (English)

7 October 2016

3 references

Major cardenolide glycosides in embryogenic suspension cultures of Digitalis lanata

Über pflanzliche Herzgifte, XXX. Mitteil.1): Neue Glykoside aus den Blättern vonDigitalis purpurea undDigitalis lanata

Adenium obesum

1 reference

Cardiac glycosides and pregnanes from Adenium obesum (studies on the constituents of Adenium. I)

Digitalis parviflora

1 reference

Biosynthesis of digitalis glycosides. Enzymatic glucosylation of digitoxin by particle enzyme fractions of Digitalis purpurea

Digitalis purpurea

4 references

Über pflanzliche Herzgifte, XXX. Mitteil.1): Neue Glykoside aus den Blättern vonDigitalis purpurea undDigitalis lanata

Water-soluble cardioglycoside from the leaves of Digitalis purpurea L

Biosynthesis of digitalis glycosides. Enzymatic glucosylation of digitoxin by particle enzyme fractions of Digitalis purpurea

High-performance liquid chromatographic determination of secondary cardiac glycosides in Digitalis purpurea leaves

Digitalis viridiflora

1 reference

Biosynthesis of digitalis glycosides. Enzymatic glucosylation of digitoxin by particle enzyme fractions of Digitalis purpurea

Identifiers

InChI

InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17-,18+,19+,20-,21+,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1

1 reference

Strospeside (English)

CPFNIKYEDJFRAT-RVPZLBNISA-N

7 October 2016

InChIKey

2 references

Strospeside (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

strospeside (English)

7 October 2016

1 reference

(3beta,5beta,16beta)-3-[(6-Deoxy-3-O-methyl-beta-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide (English)

7 October 2016

1 reference

Strospeside (English)

7 October 2016

Reaxys registry number

3659140

1 reference

strospeside (English)

7 October 2016

ChEBI ID

70992

mapping relation type

1 reference

DSSTOX compound identifier

strospeside (English)

7 October 2016

1 reference

0 references

DTXCID401402320

0 references

EC number

209-859-8

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.965

27 December 2018

ECHA Substance Infocard ID

(3β,5β,16β)-3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide (English)

quotation

CAS no.: 595-21-1 (English)

100.008.965

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.965

27 December 2018