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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26O9
Molecular Weight 398.4043
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7,8-DIHYDROXY-4,15-DIACETOXYSCIRPENOL

SMILES

[H][C@@]12O[C@]3([H])C=C(C)[C@@H](O)[C@@H](O)[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]24CO4

InChI

InChIKey=ARKWUSFUCGIADI-LQTPHHOGSA-N
InChI=1S/C19H26O9/c1-8-5-11-18(6-25-9(2)20,14(24)12(8)22)17(4)15(27-10(3)21)13(23)16(28-11)19(17)7-26-19/h5,11-16,22-24H,6-7H2,1-4H3/t11-,12-,13-,14-,15-,16-,17-,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H26O9
Molecular Weight 398.4043
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 12:03:18 GMT 2023
Edited
by admin
on Sat Dec 16 12:03:18 GMT 2023
Record UNII
5Q4RC2JSL0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7,8-DIHYDROXY-4,15-DIACETOXYSCIRPENOL
Common Name English
7,8-DIHYDROXYANGUIDINE, (7S,8S)-
Common Name English
TRICHOTHEC-9-ENE-3,4,7,8,15-PENTOL, 12,13-EPOXY-, 4,15-DIACETATE, (3.ALPHA.,4.BETA.,7.ALPHA.,8.ALPHA.)-
Systematic Name English
7,8-DIHYDROXYANGUIDINE, (7.ALPHA.,8.ALPHA.)-
Common Name English
4.BETA.,15-DIACETOXY-12,13-EPOXYTRICHOTHEC-9-ENE-3.ALPHA.,7.ALPHA.,8.ALPHA.-TRIOL
Common Name English
7,8-DIHYDROXYDIACETOXYSCIRPENOL
Common Name English
7,8-DIHYDROXY-4,15-DIACETOXYSCIRPENOL, (7S,15S)-
Common Name English
Code System Code Type Description
MANUFACTURER PRODUCT INFORMATION
4.BETA.,15-DIACETOXY-12,13-EPOXYTRICHOTHEC-9-ENE-3.ALPHA.,7.ALPHA.,8.ALPHA.-TRIOL
Created by admin on Sat Dec 16 12:03:18 GMT 2023 , Edited by admin on Sat Dec 16 12:03:18 GMT 2023
PRIMARY
CAS
54831-24-2
Created by admin on Sat Dec 16 12:03:18 GMT 2023 , Edited by admin on Sat Dec 16 12:03:18 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
102504518
Created by admin on Sat Dec 16 12:03:18 GMT 2023 , Edited by admin on Sat Dec 16 12:03:18 GMT 2023
PRIMARY
CAS
25861-69-2
Created by admin on Sat Dec 16 12:03:18 GMT 2023 , Edited by admin on Sat Dec 16 12:03:18 GMT 2023
PRIMARY
FDA UNII
5Q4RC2JSL0
Created by admin on Sat Dec 16 12:03:18 GMT 2023 , Edited by admin on Sat Dec 16 12:03:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID70970180
Created by admin on Sat Dec 16 12:03:18 GMT 2023 , Edited by admin on Sat Dec 16 12:03:18 GMT 2023
PRIMARY