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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H53NO6
Molecular Weight 679.884
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of NODULISPORIC ACID

SMILES

CC(=C)[C@@H]1N2C3=C(C=C4C5=CC(C)(C)OC(C)(C)[C@H]5[C@H](O)C4=C3C1=O)C6=C2[C@@]7(C)[C@H](C6)CC[C@H]8[C@](C)(\C=C\C=C(/C)C(O)=O)[C@@H](O)CC[C@]78C

InChI

InChIKey=UNCVXXVJJXJZII-QLETUHIQSA-N
InChI=1S/C43H53NO6/c1-21(2)33-36(47)31-30-24(27-20-39(4,5)50-40(6,7)32(27)35(30)46)19-25-26-18-23-13-14-28-41(8,16-11-12-22(3)38(48)49)29(45)15-17-42(28,9)43(23,10)37(26)44(33)34(25)31/h11-12,16,19-20,23,28-29,32-33,35,45-46H,1,13-15,17-18H2,2-10H3,(H,48,49)/b16-11+,22-12+/t23-,28-,29-,32+,33-,35+,41-,42-,43+/m0/s1

HIDE SMILES / InChI

Molecular Formula C43H53NO6
Molecular Weight 679.884
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:53:30 GMT 2025
Edited
by admin
on Mon Mar 31 22:53:30 GMT 2025
Record UNII
1K1CU6363A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NODULISPORIC ACID
MI  
Common Name English
(+)-NODULISPORIC ACID A
Preferred Name English
NODULISPORIC ACID A
Common Name English
NODULISPORIC ACID [MI]
Common Name English
Code System Code Type Description
FDA UNII
1K1CU6363A
Created by admin on Mon Mar 31 22:53:30 GMT 2025 , Edited by admin on Mon Mar 31 22:53:30 GMT 2025
PRIMARY
MERCK INDEX
m8026
Created by admin on Mon Mar 31 22:53:30 GMT 2025 , Edited by admin on Mon Mar 31 22:53:30 GMT 2025
PRIMARY Merck Index
PUBCHEM
10747094
Created by admin on Mon Mar 31 22:53:30 GMT 2025 , Edited by admin on Mon Mar 31 22:53:30 GMT 2025
PRIMARY
CAS
163120-03-4
Created by admin on Mon Mar 31 22:53:30 GMT 2025 , Edited by admin on Mon Mar 31 22:53:30 GMT 2025
PRIMARY