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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O2
Molecular Weight 318.4935
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 13-DIHYDROABIETATE

SMILES

COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](CC3=CC[C@@H]12)C(C)C

InChI

InChIKey=YUBSLXLMZVQYAG-XTKDNXAFSA-N
InChI=1S/C21H34O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,14-15,17-18H,6-7,9-13H2,1-5H3/t15-,17-,18+,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H34O2
Molecular Weight 318.4935
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:50:32 GMT 2025
Edited
by admin
on Mon Mar 31 20:50:32 GMT 2025
Record UNII
15Z5T21M1T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,7,8,10,10A-DODECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, METHYL ESTER, (1R,4AR,4BS,7S,10AR)-
Preferred Name English
METHYL 13-DIHYDROABIETATE
Common Name English
Code System Code Type Description
CAS
33892-12-5
Created by admin on Mon Mar 31 20:50:32 GMT 2025 , Edited by admin on Mon Mar 31 20:50:32 GMT 2025
PRIMARY
FDA UNII
15Z5T21M1T
Created by admin on Mon Mar 31 20:50:32 GMT 2025 , Edited by admin on Mon Mar 31 20:50:32 GMT 2025
PRIMARY
PUBCHEM
23622434
Created by admin on Mon Mar 31 20:50:32 GMT 2025 , Edited by admin on Mon Mar 31 20:50:32 GMT 2025
PRIMARY