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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O
Molecular Weight 218.3346
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCLEROSPORAL, (-)-

SMILES

[H][C@@]12CCC(C)=C[C@]1([H])[C@H](CC=C2C=O)C(C)C

InChI

InChIKey=DNHAZRYDTSOZHV-QLFBSQMISA-N
InChI=1S/C15H22O/c1-10(2)13-7-5-12(9-16)14-6-4-11(3)8-15(13)14/h5,8-10,13-15H,4,6-7H2,1-3H3/t13-,14+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H22O
Molecular Weight 218.3346
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:37:26 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:26 GMT 2023
Record UNII
C3YF9CY8BU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCLEROSPORAL, (-)-
Common Name English
14-OXY-.ALPHA.-MUUROLENE
Common Name English
SCLEROSPORAL-
Common Name English
(4R,4AS,8AR)-3,4,4A,7,8,8A-HEXAHYDRO-6-METHYL-4-(1-METHYLETHYL)-1-NAPHTHALENECARBOXALDEHYDE
Systematic Name English
SCLEROSPORAL
Common Name English
1-NAPHTHALENECARBOXALDEHYDE, 3,4,4A,7,8,8A-HEXAHYDRO-6-METHYL-4-(1-METHYLETHYL)-, (4R,4AS,8AR)-
Systematic Name English
(-)-SCLEROSPORAL
Common Name English
Code System Code Type Description
PUBCHEM
101324870
Created by admin on Sat Dec 16 12:37:26 GMT 2023 , Edited by admin on Sat Dec 16 12:37:26 GMT 2023
PRIMARY
FDA UNII
C3YF9CY8BU
Created by admin on Sat Dec 16 12:37:26 GMT 2023 , Edited by admin on Sat Dec 16 12:37:26 GMT 2023
PRIMARY
CAS
69394-04-3
Created by admin on Sat Dec 16 12:37:26 GMT 2023 , Edited by admin on Sat Dec 16 12:37:26 GMT 2023
PRIMARY