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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H46O8
Molecular Weight 534.6814
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALBOLEERSIN

SMILES

[H][C@@]12CC[C@@]3(C)OC4=C([C@@H](O)[C@]3([H])[C@@]1(C)CC[C@@H](O2)C(C)(C)O)C(O)=CC([C@H](C)[C@H](OC(C)=O)[C@@H](C)CC)=C4O

InChI

InChIKey=UQNKLYUSWJMMQQ-MHUJPXPPSA-N
InChI=1S/C30H46O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,32-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H46O8
Molecular Weight 534.6814
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:35:24 GMT 2023
Edited
by admin
on Sat Dec 16 09:35:24 GMT 2023
Record UNII
G3T98XPT5D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALBOLEERSIN
Common Name English
(2-METHYL-1-(1-(8,11,12-TRIHYDROXY-3-(1-HYDROXY-1-METHYL-ETHYL)-6A,12B-DIMETHYL-1,2,3,4A,5,6,12,12A-OCTAHYDROPYRANO(3,2-A)XANTHEN-9-YL)ETHYL)BUTYL) ACETATE
Systematic Name English
PYRANO(3,2-A)XANTHENE-8,11,12-TRIOL, 9-(2-(ACETYLOXY)-1,3-DIMETHYLPENTYL)-1,2,3,4A,5,6,6A,12,12A,12B-DECAHYDRO-3-(1-HYDROXY-1-METHYLETHYL)-6A,12B-DIMETHYL-, (3R-(3.ALPHA.,4A.BETA.,6A.ALPHA.,9(1S*,2R*,3S*),12.BETA.,12A.BETA.,12B.ALPHA.))-
Systematic Name English
COCHLIOQUINONE A, 14,17-DIDEHYDRO-14,17-DIDEOXO-14,17-DIHYDROXY-
Systematic Name English
ALBOLEERSIN, (+)-
Common Name English
COCHLIOHYDROQUINONE A
Common Name English
Code System Code Type Description
CAS
41059-86-3
Created by admin on Sat Dec 16 09:35:24 GMT 2023 , Edited by admin on Sat Dec 16 09:35:24 GMT 2023
PRIMARY
PUBCHEM
123133523
Created by admin on Sat Dec 16 09:35:24 GMT 2023 , Edited by admin on Sat Dec 16 09:35:24 GMT 2023
PRIMARY
FDA UNII
G3T98XPT5D
Created by admin on Sat Dec 16 09:35:24 GMT 2023 , Edited by admin on Sat Dec 16 09:35:24 GMT 2023
PRIMARY