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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H63NO15
Molecular Weight 809.9366
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROTOVERATRINE B

SMILES

[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)[C@@H](C)O

InChI

InChIKey=BFLXOMFFVWQPAZ-CEEVVQPDSA-N
InChI=1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,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 C41H63NO15
Molecular Weight 809.9366
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 20
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:57:51 UTC 2023
Edited
by admin
on Fri Dec 15 15:57:51 UTC 2023
Record UNII
AK816144R9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROTOVERATRINE B
MI   WHO-DD  
Common Name English
CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 3-((2R,3R)-2,3-DIHYDROXY-2-METHYLBUTANOATE) 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-
Common Name English
PROTOVERATRINE B [MI]
Common Name English
NEOPROTOVERATRINE
Common Name English
VERATETRIN
Common Name English
NSC-7527
Code English
Protoveratrine b [WHO-DD]
Common Name English
VERATETRINE
Common Name English
Code System Code Type Description
NSC
7527
Created by admin on Fri Dec 15 15:57:51 UTC 2023 , Edited by admin on Fri Dec 15 15:57:51 UTC 2023
PRIMARY
EVMPD
SUB36174
Created by admin on Fri Dec 15 15:57:51 UTC 2023 , Edited by admin on Fri Dec 15 15:57:51 UTC 2023
PRIMARY
CAS
124-97-0
Created by admin on Fri Dec 15 15:57:51 UTC 2023 , Edited by admin on Fri Dec 15 15:57:51 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-719-2
Created by admin on Fri Dec 15 15:57:51 UTC 2023 , Edited by admin on Fri Dec 15 15:57:51 UTC 2023
PRIMARY
MERCK INDEX
m9278
Created by admin on Fri Dec 15 15:57:51 UTC 2023 , Edited by admin on Fri Dec 15 15:57:51 UTC 2023
PRIMARY Merck Index
FDA UNII
AK816144R9
Created by admin on Fri Dec 15 15:57:51 UTC 2023 , Edited by admin on Fri Dec 15 15:57:51 UTC 2023
PRIMARY
SMS_ID
100000128727
Created by admin on Fri Dec 15 15:57:51 UTC 2023 , Edited by admin on Fri Dec 15 15:57:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID401043045
Created by admin on Fri Dec 15 15:57:51 UTC 2023 , Edited by admin on Fri Dec 15 15:57:51 UTC 2023
PRIMARY
PUBCHEM
222158
Created by admin on Fri Dec 15 15:57:51 UTC 2023 , Edited by admin on Fri Dec 15 15:57:51 UTC 2023
PRIMARY
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