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Details

Stereochemistry ABSOLUTE
Molecular Formula C60H56O11
Molecular Weight 953.08
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CONOCURVON

SMILES

CC(C)=CCC[C@@]1(C)OC2=C(C=C1)C3=C(C=C2)C(=O)C(=C(O)C3=O)C4=C(C(=O)C5=C(C=CC6=C5C=C[C@@](C)(CCC=C(C)C)O6)C4=O)C7=C(O)C(=O)C8=C(C=CC9=C8C=C[C@@](C)(CCC=C(C)C)O9)C7=O

InChI

InChIKey=IJDNMADFCZSLQD-UPMPAGDASA-N
InChI=1S/C60H56O11/c1-31(2)13-10-25-58(7)28-22-34-40(69-58)19-16-37-43(34)53(64)47(49-52(63)39-18-21-42-36(45(39)55(66)57(49)68)24-30-60(9,71-42)27-12-15-33(5)6)46(50(37)61)48-51(62)38-17-20-41-35(44(38)54(65)56(48)67)23-29-59(8,70-41)26-11-14-32(3)4/h13-24,28-30,67-68H,10-12,25-27H2,1-9H3/t58-,59-,60-/m1/s1

HIDE SMILES / InChI

Molecular Formula C60H56O11
Molecular Weight 953.08
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:38:35 GMT 2023
Edited
by admin
on Sat Dec 16 08:38:35 GMT 2023
Record UNII
SCX7A45WJ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CONOCURVON
Common Name English
(3R,3′R,3′′R)-9,9′′-Dihydroxy-3,3′,3′′-trimethyl-3,3′,3′′-tris(4-methyl-3-penten-1-yl)[8,8′:9′,8′′-ter-3H-naphtho[2,1-b]pyran]-7,7′,7′′,10,10′,10′′-hexone
Systematic Name English
[8,8′:9′,8′′-Ter-3H-naphtho[2,1-b]pyran]-7,7′,7′′,10,10′,10′′-hexone, 9,9′′-dihydroxy-3,3′,3′′-trimethyl-3,3′,3′′-tris(4-methyl-3-penten-1-yl)-, (3R,3′R,3′′R)-
Systematic Name English
NSC-650891
Code English
(+)-Conocurvone
Common Name English
Code System Code Type Description
NSC
650891
Created by admin on Sat Dec 16 08:38:35 GMT 2023 , Edited by admin on Sat Dec 16 08:38:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID20110002
Created by admin on Sat Dec 16 08:38:35 GMT 2023 , Edited by admin on Sat Dec 16 08:38:35 GMT 2023
PRIMARY
CAS
149572-31-6
Created by admin on Sat Dec 16 08:38:35 GMT 2023 , Edited by admin on Sat Dec 16 08:38:35 GMT 2023
PRIMARY
PUBCHEM
5281731
Created by admin on Sat Dec 16 08:38:35 GMT 2023 , Edited by admin on Sat Dec 16 08:38:35 GMT 2023
PRIMARY
FDA UNII
SCX7A45WJ6
Created by admin on Sat Dec 16 08:38:35 GMT 2023 , Edited by admin on Sat Dec 16 08:38:35 GMT 2023
PRIMARY