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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26O5
Molecular Weight 346.4182
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NOBILIN

SMILES

C/C(/[H])=C(\C)/C(=O)O[C@@]1([H])C/C(=C(\[H])/C[C@@]([H])(/C(=C(/[H])\[C@@]2([H])[C@]1([H])C(=C)C(=O)O2)/C)O)/C

InChI

InChIKey=QFINJHBXXJQKPB-UNYVMELBSA-N
InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6+,13-10-/t15-,16-,17-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H26O5
Molecular Weight 346.4182
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:06:59 UTC 2021
Edited
by admin
on Sat Jun 26 05:06:59 UTC 2021
Record UNII
83EYM5HY0T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NOBILIN
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (3AR,4S,6E,9S,10Z,11AS)-2,3,3A,4,5,8,9,11A-OCTAHYDRO-9-HYDROXY-6,10-DIMETHYL-3-METHYLENE-2-OXOCYCLODECA(B)FURAN-4-YL ESTER
Systematic Name English
GERMACRA-1(10),4,11(13)-TRIEN-12-OIC ACID, 3.BETA.,6.BETA.,8.ALPHA.-TRIHYDROXY-, 12,6-LACTONE, 8-(2-METHYLCROTONATE)
Common Name English
Code System Code Type Description
CAS
1674378-92-7
Created by admin on Sat Jun 26 05:06:59 UTC 2021 , Edited by admin on Sat Jun 26 05:06:59 UTC 2021
ALTERNATIVE
CAS
31824-11-0
Created by admin on Sat Jun 26 05:06:59 UTC 2021 , Edited by admin on Sat Jun 26 05:06:59 UTC 2021
PRIMARY
FDA UNII
83EYM5HY0T
Created by admin on Sat Jun 26 05:06:59 UTC 2021 , Edited by admin on Sat Jun 26 05:06:59 UTC 2021
PRIMARY
PUBCHEM
102597438
Created by admin on Sat Jun 26 05:06:59 UTC 2021 , Edited by admin on Sat Jun 26 05:06:59 UTC 2021
PRIMARY
Related Record Type Details
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