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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H26O3
Molecular Weight 254.3651
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXYCULMORIN

SMILES

[H][C@]12[C@H](O)C[C@]3(C)[C@H](O)[C@@]1([H])C(C)(C)[C@H](O)CC[C@]23C

InChI

InChIKey=XFKGEQRMYJCXFK-OLTWEKASSA-N
InChI=1S/C15H26O3/c1-13(2)9(17)5-6-14(3)10-8(16)7-15(14,4)12(18)11(10)13/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12-,14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H26O3
Molecular Weight 254.3651
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:56:12 UTC 2023
Edited
by admin
on Sat Dec 16 11:56:12 UTC 2023
Record UNII
4982EVY8FH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-HYDROXYCULMORIN
Common Name English
1,4-METHANOAZULENE-3,6,9-TRIOL, DECAHYDRO-1,5,5,8A-TETRAMETHYL-, (1S-(1.ALPHA.,3.ALPHA.,3A.BETA.,4.ALPHA.,6.BETA.,8A.BETA.,9S*))-
Systematic Name English
(1S,3R,3AS,4R,6R,8AR,9R)-DECAHYDRO-1,5,5,8A-TETRAMETHYL-1,4-METHANOAZULENE-3,6,9-TRIOL
Systematic Name English
Code System Code Type Description
FDA UNII
4982EVY8FH
Created by admin on Sat Dec 16 11:56:13 UTC 2023 , Edited by admin on Sat Dec 16 11:56:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID70891806
Created by admin on Sat Dec 16 11:56:13 UTC 2023 , Edited by admin on Sat Dec 16 11:56:13 UTC 2023
PRIMARY
PUBCHEM
134687624
Created by admin on Sat Dec 16 11:56:13 UTC 2023 , Edited by admin on Sat Dec 16 11:56:13 UTC 2023
PRIMARY
CAS
139680-63-0
Created by admin on Sat Dec 16 11:56:13 UTC 2023 , Edited by admin on Sat Dec 16 11:56:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT