(Q82379658)

English

(3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraene-3,25-diol

chemical compound

In more languages

Statements

type of chemical entity

0 references

9,10-secoergostane steroid

1 reference

based on heuristic

inferred from SMILES

412.334130648 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-ergostatetraene-3,25-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

25-hydroxyergocalciferol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)(C)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@@H]12

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24-,25-,26+,28-/m1/s1

0 references

KJKIIUAXZGLUND-FOZBYKFWSA-N

0 references

CAS Registry Number

0 references

2 references

26 December 2021

matched by identifier from

KJKIIUAXZGLUND-FOZBYKFWSA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

KJKIIUAXZGLUND-FOZBYKFWSA-N

DSSTOX compound identifier

0 references

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