(Q27109342)

1 February 2021

mass

432.360345±0 dalton

1 reference

3-Dehydro-6-deoxoteasterone (English)

5 October 2016

chemical formula

C₂₈H₄₈O₃

1 reference

3-Dehydro-6-deoxoteasterone (English)

5 October 2016

canonical SMILES

CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)O)O

1 reference

3-Dehydro-6-deoxoteasterone (English)

5 October 2016

isomeric SMILES

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O

1 reference

3-Dehydro-6-deoxoteasterone (English)

InChI=1S/C28H48O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-19,21-26,30-31H,7-15H2,1-6H3/t17-,18-,19-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1

5 October 2016

Identifiers

InChI

1 reference

3-Dehydro-6-deoxoteasterone (English)

URNVSZVQLKHKDE-WAFXAADMSA-N

5 October 2016

InChIKey

2 references

3-Dehydro-6-deoxoteasterone (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5alpha,22R,23R,24S)-22,23-Dihydroxyergostan-3-one (English)

5 October 2016

2 references

3-Dehydro-6-deoxoteasterone (English)

matched by identifier from

5 October 2016

InChIKey

URNVSZVQLKHKDE-WAFXAADMSA-N

Reaxys registry number

7387822

1 reference

3-dehydro-6-deoxoteasterone (English)

5 October 2016

ChEBI ID

20710

mapping relation type

2 references

3-dehydro-6-deoxoteasterone (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C28H48O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-19,21-26,30-31H,7-15H2,1-6H3/t17-,18-,19-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

URNVSZVQLKHKDE-WAFXAADMSA-N

DSSTOX compound identifier

0 references

1 reference

3-dehydro-6-deoxoteasterone (English)

5 October 2016

1 reference

3-dehydro-6-deoxoteasterone (English)