(Q27139247)

Dihydrodigoxigenin (English)

7 October 2016

chemical formula

C₂₃H₃₆O₅

1 reference

Dihydrodigoxigenin (English)

7 October 2016

canonical SMILES

CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5CC(=O)OC5)O)C)O)O

1 reference

Dihydrodigoxigenin (English)

7 October 2016

isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4[C@H]5CC(=O)OC5)O)C)O)O

1 reference

Dihydrodigoxigenin (English)

InChI=1S/C23H36O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h13-19,24-25,27H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+,21-,22-,23-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

Dihydrodigoxigenin (English)

7 October 2016

2 references

Dihydrodigoxigenin (English)

7 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

4442-12-0

1 reference

https://commonchemistry.cas.org/detail?cas_rn=4442-12-0

9 April 2021

1 reference

(3beta,5beta,12beta)-3,12,14-Trihydroxycardanolide (English)

7 October 2016

2 references

Dihydrodigoxigenin (English)

7 October 2016

ChEBI ID

71004

mapping relation type

2 references

20,22-dihydrodigoxigenin (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H36O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h13-19,24-25,27H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+,21-,22-,23-/m0/s1

1 reference

DIHYDRODIGOXIGENIN (English)

7 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID801390983

0 references

UNII

FT776QDZ4Y

1 reference