(Q27132658)

3-[(3R,5S,8S,9S,10S,12S,13S,14S,17S)-3,12,14-trihydroxy-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

3-epidigoxigenin (English)

7 October 2016

1 reference

1 reference

1 reference

4-(3,12,14-Trihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₄O₅

1 reference

3-epidigoxigenin (English)

7 October 2016

canonical SMILES

CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O

1 reference

3-epidigoxigenin (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]4C5=CC(=O)OC5)O)C)O)O

1 reference

3-epidigoxigenin (English)

InChI=1S/C23H34O5/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/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16-,17-,18+,19-,21+,22+,23+/m1/s1

7 October 2016

Identifiers

InChI

1 reference

3-epidigoxigenin (English)

7 October 2016

2 references

3-epidigoxigenin (English)

7 October 2016

stated in

ChEBI release 2020-09-01

2 references

3-epi-digoxigenin (English)

7 October 2016

https://commonchemistry.cas.org/detail?cas_rn=465-14-5

10 April 2021

1 reference

3-epi-Digoxigenin (English)

7 October 2016

2 references

3-epidigoxigenin (English)

matched by identifier from

7 October 2016

Reaxys registry number

96478

1 reference

3-epi-digoxigenin (English)

7 October 2016

ChEBI ID

63497

mapping relation type

2 references

3-epi-digoxigenin (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H34O5/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/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16-,17-,18+,19-,21+,22+,23+/m1/s1

1 reference

1 reference

matched by identifier from

ECHA Substance Infocard database

EC number

207-358-9

1 reference

stated in

ECHA Substance Infocard ID

100.006.691

27 December 2018

ECHA Substance Infocard ID

(3α,5β,12β)-3,12,14-trihydroxycard-20(22)-enolide (English)

quotation

CAS no.: 465-14-5 (English)

100.006.691

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.691

27 December 2018