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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H58
Molecular Weight 466.8243
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BOTRYOCOCCENE

SMILES

C[C@H](CC[C@H](C)C(=C)CC[C@H](C)C(C)=C)\C=C\[C@@](C)(CC[C@H](C)C(=C)CC[C@H](C)C(C)=C)C=C

InChI

InChIKey=RRFKZRGEWFCPGV-KWNNYQEVSA-N
InChI=1S/C34H58/c1-14-34(13,24-22-33(12)32(11)20-18-29(8)26(4)5)23-21-27(6)15-16-30(9)31(10)19-17-28(7)25(2)3/h14,21,23,27-30,33H,1-2,4,10-11,15-20,22,24H2,3,5-9,12-13H3/b23-21+/t27-,28+,29+,30+,33+,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H58
Molecular Weight 466.8243
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:52:45 GMT 2023
Edited
by admin
on Sat Dec 16 09:52:45 GMT 2023
Record UNII
OJL0CPA70A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BOTRYOCOCCENE
MI  
Common Name English
(-)-BOTRYOCOCCENE
Common Name English
(3S,7S,10S,11E,13R,16S,20S)-10-ETHENYL-2,3,7,10,13,16,20,21-OCTAMETHYL-6,17-BIS(METHYLENE)-1,11,21-DOCOSATRIENE
Systematic Name English
BOTRYOCOCCENE [MI]
Common Name English
1,11,21-DOCOSATRIENE, 10-ETHENYL-2,3,7,10,13,16,20,21-OCTAMETHYL-6,17-BIS(METHYLENE)-, (3S,7S,10S,11E,13R,16S,20S)-
Systematic Name English
(-)-C34-BOTRYOCOCCENE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50702587
Created by admin on Sat Dec 16 09:52:45 GMT 2023 , Edited by admin on Sat Dec 16 09:52:45 GMT 2023
PRIMARY
CAS
42719-34-6
Created by admin on Sat Dec 16 09:52:45 GMT 2023 , Edited by admin on Sat Dec 16 09:52:45 GMT 2023
PRIMARY
PUBCHEM
10885141
Created by admin on Sat Dec 16 09:52:45 GMT 2023 , Edited by admin on Sat Dec 16 09:52:45 GMT 2023
PRIMARY
MERCK INDEX
m2630
Created by admin on Sat Dec 16 09:52:45 GMT 2023 , Edited by admin on Sat Dec 16 09:52:45 GMT 2023
PRIMARY Merck Index
FDA UNII
OJL0CPA70A
Created by admin on Sat Dec 16 09:52:45 GMT 2023 , Edited by admin on Sat Dec 16 09:52:45 GMT 2023
PRIMARY