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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H34O10
Molecular Weight 542.5743
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERRITREM B'

SMILES

COC1=CC(=CC(OC)=C1OC)C2=CC3=C(C[C@]4(O)[C@](C)(CC[C@]5(O)C(C)(C)[C@@H]6CC(=O)[C@@]45CO6)O3)C(=O)O2

InChI

InChIKey=ATLGSZPVKAPATP-XGEOBYPISA-N
InChI=1S/C29H34O10/c1-25(2)22-12-21(30)27(14-37-22)28(25,32)8-7-26(3)29(27,33)13-16-18(39-26)11-17(38-24(16)31)15-9-19(34-4)23(36-6)20(10-15)35-5/h9-11,22,32-33H,7-8,12-14H2,1-6H3/t22-,26-,27+,28-,29-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TERRITREM B'
Common Name English
1H-3,12B-ETHANO-11H-DIPYRANO(4,3-B:3',4'-F)(1)BENZOPYRAN-11,13-DIONE, 3,4,4A,5,6,6A,12,12A-OCTAHYDRO-4A,12A-DIHYDROXY-4,4,6A-TRIMETHYL-9-(3,4,5-TRIMETHOXYPHENYL)-, (3S,4AS,6AS,12AR,12BR)-
Preferred Name English
1H-3,12B-ETHANO-11H-DIPYRANO(4,3-B:3',4'-F)(1)BENZOPYRAN-11,13-DIONE, 3,4,4A,5,6,6A,12,12A-OCTAHYDRO-4A,12A-DIHYDROXY-4,4,6A-TRIMETHYL-9-(3,4,5-TRIMETHOXYPHENYL)-, (3S-(3.ALPHA.,4A.ALPHA.,6A.BETA.,12A.ALPHA.,12B.ALPHA.))-
Systematic Name English
Code System Code Type Description
CAS
106611-45-4
Created by admin on Tue Apr 01 21:59:05 GMT 2025 , Edited by admin on Tue Apr 01 21:59:05 GMT 2025
PRIMARY
PUBCHEM
134687632
Created by admin on Tue Apr 01 21:59:05 GMT 2025 , Edited by admin on Tue Apr 01 21:59:05 GMT 2025
PRIMARY
FDA UNII
5V1C8SB2ZP
Created by admin on Tue Apr 01 21:59:05 GMT 2025 , Edited by admin on Tue Apr 01 21:59:05 GMT 2025
PRIMARY