pyrocalciferol (Q27260364)

Pyrocalciferol (English)

(3S,9R,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

14 October 2016

stereoisomer of

2 references

(3beta,22E)-ergosta-5,7,22-trien-3-ol

2 references

(3S,9R,10S,13R,14S,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

2 references

(3S,9S,10R,13R,14R,17S)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

2 references

(3S,9S,10S,13R,14S,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

1 reference

(3S,9R,10R,13R,14S,17R)-17-[(Z,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

1 reference

(3S,9S,10R,13R,14R,17R)-17-[(Z,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

(3S,9R,10R,13R,14S,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

(3S,9S,10R,13R,14R,17R)-17-[(Z,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

1 reference

(3S,9R,10R,13S,14S,17R)-17-[(Z,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

(3S,9S,10R,13R,14S,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

1 reference

ergosta-5,8,20(22)-trien-3-ol

1 reference

chemical formula

C₂₈H₄₄O

1 reference

Pyrocalciferol (English)

14 October 2016

canonical SMILES

CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

1 reference

Pyrocalciferol (English)

14 October 2016

isomeric SMILES

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C

1 reference

Pyrocalciferol (English)

InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27+,28+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Pyrocalciferol (English)

DNVPQKQSNYMLRS-OJBTWCRJSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Pyrocalciferol (English)

14 October 2016

2 references

UNII

4QE155MND5

pyrocalciferol (English)

DNVPQKQSNYMLRS-OJBTWCRJSA-N

14 October 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=128-27-8

1 reference

9a-Lumisterol (English)

14 October 2016

1 reference

DSSTOX compound identifier

Pyrocalciferol (English)

14 October 2016

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

4QE155MND5

pyrocalciferol (English)