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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H61NO12
Molecular Weight 747.9118
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R,3R,3aS,7R,10S,11R,12S,13S,14S,15S,16R,21S,24S,27S,29R,31R,32aS)-2-[(2S)-3-Amino-2-hydroxypropyl]octacosahydro-12,15-dihydroxy-3-methoxy-29-methyl-23,30-bis(methylene)-7,11:10,14:13,16:21,24:27,31-pentaepoxy-2H-cyclohentriaconta[b]furan-5,18(3H,4H)-di

SMILES

CO[C@H]1[C@@H](C[C@H](O)CN)O[C@H]2C[C@H]3O[C@H](C[C@@H](C)C3=C)CC[C@@H]4O[C@H](CC4=C)CCC(=O)C[C@H]5O[C@@H]6[C@@H](O[C@H]7CC[C@H](CC(=O)C[C@H]12)O[C@@H]7[C@@H]6O)[C@H]5O

InChI

InChIKey=CPHOOVXMEACXGV-XXZFRVJGSA-N
InChI=1S/C40H61NO12/c1-19-11-26-7-9-29-20(2)12-25(48-29)6-5-22(42)15-33-35(45)39-40(53-33)36(46)38-30(52-39)10-8-27(50-38)13-23(43)14-28-32(17-31(49-26)21(19)3)51-34(37(28)47-4)16-24(44)18-41/h19,24-40,44-46H,2-3,5-18,41H2,1,4H3/t19-,24+,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+,36+,37-,38+,39+,40+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2R,3R,3aS,7R,10S,11R,12S,13S,14S,15S,16R,21S,24S,27S,29R,31R,32aS)-2-[(2S)-3-Amino-2-hydroxypropyl]octacosahydro-12,15-dihydroxy-3-methoxy-29-methyl-23,30-bis(methylene)-7,11:10,14:13,16:21,24:27,31-pentaepoxy-2H-cyclohentriaconta[b]furan-5,18(3H,4H)-di
Systematic Name English
7,11:10,14:13,16:21,24:27,31-Pentaepoxy-2H-cyclohentriaconta[b]furan-5,18(3H,4H)-dione, 2-[(2S)-3-amino-2-hydroxypropyl]octacosahydro-12,15-dihydroxy-3-methoxy-29-methyl-23,30-bis(methylene)-, (2R,3R,3aS,7R,10S,11R,12S,13S,14S,15S,16R,21S,24S,27S,29R,31R
Preferred Name English
Code System Code Type Description
FDA UNII
386G9NB9W9
Created by admin on Wed Apr 02 18:50:27 GMT 2025 , Edited by admin on Wed Apr 02 18:50:27 GMT 2025
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CAS
1534341-96-2
Created by admin on Wed Apr 02 18:50:27 GMT 2025 , Edited by admin on Wed Apr 02 18:50:27 GMT 2025
PRIMARY
PUBCHEM
171390132
Created by admin on Wed Apr 02 18:50:27 GMT 2025 , Edited by admin on Wed Apr 02 18:50:27 GMT 2025
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