PARACASEOLIDE A, (-)-

Details

Stereochemistry	UNKNOWN
Molecular Formula	C38H62O5
Molecular Weight	598.8959
Optical Activity	( - )
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C3=C[C@H](CCCCCCCCCCCC)[C@@]4(\C=C\CCCCCCCCCCCC)C(=O)O[C@@](C)(O[C@@]1(C)OC3=O)[C@@]24[H]

InChI

InChIKey=ZAFZFHLQBNISDI-GSNNDVGSSA-N

InChI=1S/C38H62O5/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-30(27-25-23-21-19-16-14-12-10-8-6-2)29-31-32-33(38)37(4,42-35(38)40)43-36(32,3)41-34(31)39/h26,28-30,32-33H,5-25,27H2,1-4H3/b28-26+/t30-,32-,33+,36+,37-,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H62O5
Molecular Weight	598.8959
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 16:32:58 GMT 2023` Edited by `admin` on `Sat Dec 16 16:32:58 GMT 2023`
Record UNII	O73ZC0U65E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PARACASEOLIDE A, (-)-

Common Name

English

(-)-PARACASEOLIDE A [MI]

Common Name

English

(-)-PARACASEOLIDE A

Common Name

English

DIFURO(2,3,4-CD:4',3',2'-HI)ISOBENZOFURAN-2,5-DIONE, 3-DODECYL-2A,3,6A,7A,7B,7C-HEXAHYDRO-6A,7A-DIMETHYL-2A-(1E)-1-TETRADECEN-1-YL-, (2AR,3S,6AS,7AR,7BS,7CR)-REL-(-)-

Systematic Name

English

Code System Code Type Description

FDA UNII

O73ZC0U65E

Created by admin on Sat Dec 16 16:32:58 GMT 2023 , Edited by admin on Sat Dec 16 16:32:58 GMT 2023

PRIMARY

MERCK INDEX

m11787

Created by admin on Sat Dec 16 16:32:58 GMT 2023 , Edited by admin on Sat Dec 16 16:32:58 GMT 2023

PRIMARY

CAS

1802231-07-7

Created by admin on Sat Dec 16 16:32:58 GMT 2023 , Edited by admin on Sat Dec 16 16:32:58 GMT 2023

PRIMARY