U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H54O8
Molecular Weight 578.7771
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-D-GLUCOPYRANOSYLCALCITRIOL

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@H](C[C@H](O)C3=C)O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](C)CCCC(C)(C)O

InChI

InChIKey=UCQHUTIFFMTBFB-DAHKFYDDSA-N
InChI=1S/C33H54O8/c1-19(8-6-14-32(3,4)39)24-12-13-25-21(9-7-15-33(24,25)5)10-11-22-16-23(17-26(35)20(22)2)40-31-30(38)29(37)28(36)27(18-34)41-31/h10-11,19,23-31,34-39H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24-,25+,26+,27-,28-,29+,30-,31-,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H54O8
Molecular Weight 578.7771
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:21:34 UTC 2023
Edited
by admin
on Sat Dec 16 14:21:34 UTC 2023
Record UNII
4HF9ADM3YJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.BETA.-D-GLUCOPYRANOSYLCALCITRIOL
Common Name English
3.BETA.-(D-GLUCOPYRANOSYL)-1.ALPHA.,25-DIHYDROXYVITAMIN D3
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, (1.ALPHA.,3.BETA.,5Z,7E)-1,25-DIHYDROXY-9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-3-YL
Systematic Name English
3.BETA.-(D-GLUCOPYRANOSYL)-1,25-DIHYDROXYVITAMIN D3, (1S)-
Common Name English
Code System Code Type Description
CAS
89497-11-0
Created by admin on Sat Dec 16 14:21:34 UTC 2023 , Edited by admin on Sat Dec 16 14:21:34 UTC 2023
PRIMARY
FDA UNII
4HF9ADM3YJ
Created by admin on Sat Dec 16 14:21:34 UTC 2023 , Edited by admin on Sat Dec 16 14:21:34 UTC 2023
PRIMARY
PUBCHEM
21764985
Created by admin on Sat Dec 16 14:21:34 UTC 2023 , Edited by admin on Sat Dec 16 14:21:34 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PARENT
Related Record Type Details
ACTIVE MOIETY