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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H48O
Molecular Weight 412.6908
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Gramisterol

SMILES

[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C

InChI

InChIKey=RSMKYRDCCSNYFM-AAGDOFLISA-N
InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,26+,27+,28-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H48O
Molecular Weight 412.6908
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:32:18 GMT 2023
Edited
by admin
on Sat Dec 16 16:32:18 GMT 2023
Record UNII
49V26P6XPX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Gramisterol
Common Name English
(3s,4s,5s,9r,10s,13r,14r,17r)-4,10,13-trimethyl-17-[(2r)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Systematic Name English
24-Methylenelophenol
Common Name English
4α-Methyl-24-methylene-5α-cholest-7-en-3β-ol
Systematic Name English
(3S,4R,5S,9S,10R,13S,14R,17R)-4,10,13-TRIMETHYL-17-((2R)-6-METHYL-5-METHYLIDENE-HEPTAN-2-YL)-2,3,4,5,6,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-OL
Systematic Name English
Lophenol, 24-methylene-
Common Name English
4α-Methyl-24-methylenecholest-7-en-3β-ol
Systematic Name English
4α-Methylepisterol
Common Name English
Gramisterin
Common Name English
Ergosta-7,24(28)-dien-3-ol, 4-methyl-, (3β,4α,5α)-
Common Name English
(3β,4α,5α)-4-Methylergosta-7,24(28)-dien-3-ol
Common Name English
Code System Code Type Description
FDA UNII
49V26P6XPX
Created by admin on Sat Dec 16 16:32:18 GMT 2023 , Edited by admin on Sat Dec 16 16:32:18 GMT 2023
PRIMARY
CAS
1176-52-9
Created by admin on Sat Dec 16 16:32:18 GMT 2023 , Edited by admin on Sat Dec 16 16:32:18 GMT 2023
PRIMARY
PUBCHEM
5283640
Created by admin on Sat Dec 16 16:32:18 GMT 2023 , Edited by admin on Sat Dec 16 16:32:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID701318205
Created by admin on Sat Dec 16 16:32:18 GMT 2023 , Edited by admin on Sat Dec 16 16:32:18 GMT 2023
PRIMARY