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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H34O7
Molecular Weight 506.5868
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AINSLIADIMER A

SMILES

[H][C@@]12CC(=O)[C@]3(CC[C@]4(O)[C@@]5([H])[C@@]([H])(C[C@]34O)C(=C)CC[C@@]6([H])C(=C)C(=O)O[C@]56[H])[C@]1([H])[C@@]7([H])OC(=O)C(=C)[C@]7([H])CCC2=C

InChI

InChIKey=QYIHABZOQGFHJO-RLKQMHIPSA-N
InChI=1S/C30H34O7/c1-13-5-7-17-15(3)26(32)36-24(17)22-19(13)11-21(31)28(22)9-10-29(34)23-20(12-30(28,29)35)14(2)6-8-18-16(4)27(33)37-25(18)23/h17-20,22-25,34-35H,1-12H2/t17-,18-,19-,20-,22-,23-,24-,25-,28+,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H34O7
Molecular Weight 506.5868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:35:56 GMT 2023
Edited
by admin
on Sat Dec 16 16:35:56 GMT 2023
Record UNII
OFP6EZ7DZU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AINSLIADIMER A
Common Name English
(+)-AINSLIADIMER A
Common Name English
AINSLIADIMER A [MI]
Common Name English
(3AS,3'AS,6AR,6'AR,7'AS,8'R,9AR,9BS,10'AS,10'BS,10'CS)-EICOSAHYDRO-7'A,10'A-DIHYDROXY-3,3',6,6'-TETRAKIS(METHYLENE)SPIRO(AZULENO(4,5-B)FURAN-9(2H),8'-(8H)CYCLOPENT(2,3)AZULENO(4,5-B)FURAN)-2,2',8(3H,3'H)-TRIONE
Systematic Name English
SPIRO(AZULENO(4,5-B)FURAN-9(2H),8'-(8H)CYCLOPENT(2,3)AZULENO(4,5-B)FURAN)-2,2',8(3H,3'H)-TRIONE, EICOSAHYDRO-7'A,10'A-DIHYDROXY-3,3',6,6'-TETRAKIS(METHYLENE)-, (3AS,3'AS,6AR,6'AR,7'AS,8'R,9AR,9BS,10'AS,10'BS,10'CS)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00109827
Created by admin on Sat Dec 16 16:35:56 GMT 2023 , Edited by admin on Sat Dec 16 16:35:56 GMT 2023
PRIMARY
MERCK INDEX
m11807
Created by admin on Sat Dec 16 16:35:56 GMT 2023 , Edited by admin on Sat Dec 16 16:35:56 GMT 2023
PRIMARY
CHEBI
65376
Created by admin on Sat Dec 16 16:35:56 GMT 2023 , Edited by admin on Sat Dec 16 16:35:56 GMT 2023
PRIMARY
PUBCHEM
24939147
Created by admin on Sat Dec 16 16:35:56 GMT 2023 , Edited by admin on Sat Dec 16 16:35:56 GMT 2023
PRIMARY
CAS
1039431-94-1
Created by admin on Sat Dec 16 16:35:56 GMT 2023 , Edited by admin on Sat Dec 16 16:35:56 GMT 2023
PRIMARY
FDA UNII
OFP6EZ7DZU
Created by admin on Sat Dec 16 16:35:56 GMT 2023 , Edited by admin on Sat Dec 16 16:35:56 GMT 2023
PRIMARY