(Q27132657)

Digoxigenin-mono(digitoxoside) (English)

7 October 2016

chemical formula

C₂₉H₄₄O₈

1 reference

Digoxigenin-mono(digitoxoside) (English)

7 October 2016

canonical SMILES

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)O

1 reference

Digoxigenin-mono(digitoxoside) (English)

7 October 2016

isomeric SMILES

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

1 reference

Digoxigenin-mono(digitoxoside) (English)

InChI=1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18+,19-,20-,21+,22+,23-,25+,26-,27+,28+,29+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

Digoxigenin-mono(digitoxoside) (English)

7 October 2016

2 references

Digoxigenin-mono(digitoxoside) (English)

7 October 2016

stated in

ChEBI release 2020-09-01

2 references

digoxigenin monodigitoxoside (English)

7 October 2016

https://commonchemistry.cas.org/detail?cas_rn=5352-63-6

9 April 2021

1 reference

Digoxigenin monodigitoxoside (English)

7 October 2016

2 references

Digoxigenin-mono(digitoxoside) (English)

7 October 2016

Reaxys registry number

68482

1 reference

digoxigenin monodigitoxoside (English)

7 October 2016

ChEBI ID

63496

mapping relation type

2 references

digoxigenin monodigitoxoside (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18+,19-,20-,21+,22+,23-,25+,26-,27+,28+,29+/m1/s1

1 reference

CHEMBL1150 (English)

7 October 2016

1 reference

1 reference

UNII

TP62PJG6J3

1 reference