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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H30O9
Molecular Weight 486.511
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASTELLOLIDE B

SMILES

[H][C@@]12[C@@H](CC3=C(COC3=O)[C@@]1(COC(C)=O)CCC[C@]2(C)COC(C)=O)OC(=O)C4=CC=C(O)C=C4

InChI

InChIKey=GRCAUCWQLNJYKG-GETZNYBYSA-N
InChI=1S/C26H30O9/c1-15(27)33-13-25(3)9-4-10-26(14-34-16(2)28)20-12-32-24(31)19(20)11-21(22(25)26)35-23(30)17-5-7-18(29)8-6-17/h5-8,21-22,29H,4,9-14H2,1-3H3/t21-,22+,25-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H30O9
Molecular Weight 486.511
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:17:18 GMT 2023
Edited
by admin
on Sat Dec 16 02:17:18 GMT 2023
Record UNII
2FR98ZV3G2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASTELLOLIDE B
Common Name English
BENZOIC ACID, 4-HYDROXY-, 6,9A-BIS((ACETYLOXY)METHYL)-1,3,4,5,5A,6,7,8,9,9A-DECAHYDRO-6-METHYL-3-OXONAPHTHO(1,2-C)FURAN-5-YL ESTER, (5R-(5.ALPHA.,5A.BETA.,6.ALPHA.,9A.ALPHA.))-
Systematic Name English
((5R,5AS,6S,9AR)-6,9A-BIS(ACETOXYMETHYL)-6-METHYL-3-OXO-4,5,5A,7,8,9-HEXAHYDRO-1H-BENZO(E)ISOBENZOFURAN-5-YL) 4-HYDROXYBENZOATE
Systematic Name English
BENZOIC ACID, 4-HYDROXY-, (5R,5AS,6S,9AR)-6,9A-BIS((ACETYLOXY)METHYL)-1,3,4,5,5A,6,7,8,9,9A-DECAHYDRO-6-METHYL-3-OXONAPHTHO(1,2-C)FURAN-5-YL ESTER
Systematic Name English
ASTELLOLIDE-B
Common Name English
Code System Code Type Description
FDA UNII
2FR98ZV3G2
Created by admin on Sat Dec 16 02:17:18 GMT 2023 , Edited by admin on Sat Dec 16 02:17:18 GMT 2023
PRIMARY
PUBCHEM
101294920
Created by admin on Sat Dec 16 02:17:18 GMT 2023 , Edited by admin on Sat Dec 16 02:17:18 GMT 2023
PRIMARY
CAS
78834-89-6
Created by admin on Sat Dec 16 02:17:18 GMT 2023 , Edited by admin on Sat Dec 16 02:17:18 GMT 2023
PRIMARY