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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30O6
Molecular Weight 402.4807
Optical Activity ( + )
Additional Stereochemistry Yes
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, R

SHOW SMILES / InChI
Structure of GOMISIN K2, (+)-

SMILES

COC1=C(OC)C(OC)=C2C(C[C@@H](C)[C@@H](C)CC3=CC(O)=C(OC)C(OC)=C23)=C1

InChI

InChIKey=RCPUCQCVTDMJGJ-QWHCGFSZSA-N
InChI=1S/C23H30O6/c1-12-8-14-10-16(24)20(26-4)22(28-6)18(14)19-15(9-13(12)2)11-17(25-3)21(27-5)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H30O6
Molecular Weight 402.4807
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:16:28 UTC 2023
Edited
by admin
on Sat Dec 16 11:16:28 UTC 2023
Record UNII
111FHP5Z80
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GOMISIN K2, (+)-
Common Name English
(6S,7R,12AR)-5,6,7,8-TETRAHYDRO-1,2,10,11,12-PENTAMETHOXY-6,7-DIMETHYLDIBENZO(A,C)CYCLOOCTEN-3-OL
Common Name English
(+)-GOMISIN K2
Common Name English
DIBENZO(A,C)CYCLOOCTEN-3-OL, 5,6,7,8-TETRAHYDRO-1,2,10,11,12-PENTAMETHOXY-6,7-DIMETHYL-, (6S,7R,12AR)-
Systematic Name English
GOMISIN K2
Common Name English
Code System Code Type Description
CAS
75684-44-5
Created by admin on Sat Dec 16 11:16:28 UTC 2023 , Edited by admin on Sat Dec 16 11:16:28 UTC 2023
PRIMARY
FDA UNII
111FHP5Z80
Created by admin on Sat Dec 16 11:16:28 UTC 2023 , Edited by admin on Sat Dec 16 11:16:28 UTC 2023
PRIMARY
PUBCHEM
5317805
Created by admin on Sat Dec 16 11:16:28 UTC 2023 , Edited by admin on Sat Dec 16 11:16:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT