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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H63NO14.ClH
Molecular Weight 830.398
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROTOVERATRINE A HYDROCHLORIDE

SMILES

Cl.[H][C@@]12C[C@]34O[C@]5(O)[C@H](CC[C@@]3(C)[C@]5([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4([H])[C@]1(O)[C@@H](OC(=O)[C@H](C)CC)[C@H](O)[C@@]6([H])[C@@]2([H])CN7C[C@@H](C)CC[C@@]7([H])[C@@]6(C)O)OC(=O)[C@@](C)(O)CC

InChI

InChIKey=CWXLRJWGWPIDOZ-XGTFUUGSSA-N
InChI=1S/C41H63NO14.ClH/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2;/h19-20,23-33,45,48-51H,10-18H2,1-9H3;1H/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C41H63NO14
Molecular Weight 793.9372
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:35:21 UTC 2023
Edited
by admin
on Sat Dec 16 09:35:21 UTC 2023
Record UNII
YGM9ZJF06C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROTOVERATRINE A HYDROCHLORIDE
Common Name English
CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 3-(2-HYDROXY-2-METHYLBUTANOATE) 15-(2-METHYLBUTANOATE), HYDROCHLORIDE, (3.BETA.(S),4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.(R),16.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
YGM9ZJF06C
Created by admin on Sat Dec 16 09:35:21 UTC 2023 , Edited by admin on Sat Dec 16 09:35:21 UTC 2023
PRIMARY
CAS
58445-86-6
Created by admin on Sat Dec 16 09:35:21 UTC 2023 , Edited by admin on Sat Dec 16 09:35:21 UTC 2023
PRIMARY
PUBCHEM
91800158
Created by admin on Sat Dec 16 09:35:21 UTC 2023 , Edited by admin on Sat Dec 16 09:35:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID20973989
Created by admin on Sat Dec 16 09:35:21 UTC 2023 , Edited by admin on Sat Dec 16 09:35:21 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY