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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O4
Molecular Weight 432.6359
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-CHLOROGENIN

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])C[C@@H](O)[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2

InChI

InChIKey=PZNPHSFXILSZTM-LHCNFSBLSA-N
InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H44O4
Molecular Weight 432.6359
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 14:41:22 UTC 2023
Edited
by admin
on Thu Jul 06 14:41:22 UTC 2023
Record UNII
R88XV7YUIG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-CHLOROGENIN
Common Name English
SPIROSTAN-3,6-DIOL, (3.BETA.,5.ALPHA.,6.BETA.,25R)-
Common Name English
.BETA.-CHLOROGENIN (CONSTITUENT OF GARLIC) [DSC]
Common Name English
(3.BETA.,5.ALPHA.,6.BETA.,25R)-SPIROSTAN-3,6-DIOL
Systematic Name English
BETA-CHLOROGENIN [USP-RS]
Common Name English
3.BETA.,6.BETA.-CHLOROGENIN
Common Name English
Code System Code Type Description
FDA UNII
R88XV7YUIG
Created by admin on Thu Jul 06 14:41:23 UTC 2023 , Edited by admin on Thu Jul 06 14:41:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID40961949
Created by admin on Thu Jul 06 14:41:23 UTC 2023 , Edited by admin on Thu Jul 06 14:41:23 UTC 2023
PRIMARY
PUBCHEM
10717615
Created by admin on Thu Jul 06 14:41:23 UTC 2023 , Edited by admin on Thu Jul 06 14:41:23 UTC 2023
PRIMARY
CAS
41743-71-9
Created by admin on Thu Jul 06 14:41:23 UTC 2023 , Edited by admin on Thu Jul 06 14:41:23 UTC 2023
PRIMARY
RS_ITEM_NUM
1115556
Created by admin on Thu Jul 06 14:41:23 UTC 2023 , Edited by admin on Thu Jul 06 14:41:23 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
USP