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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H64O11
Molecular Weight 720.9296
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DERMOSTATIN A

SMILES

CC(C)[C@@H]1OC(=O)\C=C\C=C\C=C\C=C\C=C\C=C\C[C@H](O)[C@H](C)[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)\C=C\[C@@H]1C

InChI

InChIKey=LSYAYTGVPHMMBZ-YPCSGYANSA-N
InChI=1S/C40H64O11/c1-27(2)40-28(3)18-19-30(41)20-31(42)21-32(43)22-33(44)23-34(45)24-35(46)25-36(47)26-38(49)29(4)37(48)16-14-12-10-8-6-5-7-9-11-13-15-17-39(50)51-40/h5-15,17-19,27-38,40-49H,16,20-26H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,19-18+/t28-,29-,30-,31-,32-,33+,34-,35+,36+,37-,38+,40-/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H64O11
Molecular Weight 720.9296
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:46:41 GMT 2023
Edited
by admin
on Fri Dec 15 15:46:41 GMT 2023
Record UNII
Q2U8537FNB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DERMOSTATIN A
Common Name English
DERMOSTATIN A [MI]
Common Name English
OXACYCLOHEXATRIACONTA-3,5,7,9,11,13,33-HEPTAEN-2-ONE, 16,18,20,22,24,26,28,30,32-NONAHYDROXY-17,35-DIMETHYL-36-(1-METHYLETHYL)-, (3E,5E,7E,9E,11E,13E,16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,33E,35S,36S)-
Common Name English
Code System Code Type Description
CAS
51053-36-2
Created by admin on Fri Dec 15 15:46:41 GMT 2023 , Edited by admin on Fri Dec 15 15:46:41 GMT 2023
PRIMARY
MERCK INDEX
m676
Created by admin on Fri Dec 15 15:46:41 GMT 2023 , Edited by admin on Fri Dec 15 15:46:41 GMT 2023
PRIMARY
FDA UNII
Q2U8537FNB
Created by admin on Fri Dec 15 15:46:41 GMT 2023 , Edited by admin on Fri Dec 15 15:46:41 GMT 2023
PRIMARY
PUBCHEM
10580725
Created by admin on Fri Dec 15 15:46:41 GMT 2023 , Edited by admin on Fri Dec 15 15:46:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID40965341
Created by admin on Fri Dec 15 15:46:41 GMT 2023 , Edited by admin on Fri Dec 15 15:46:41 GMT 2023
PRIMARY
MESH
C030347
Created by admin on Fri Dec 15 15:46:41 GMT 2023 , Edited by admin on Fri Dec 15 15:46:41 GMT 2023
PRIMARY