PROTOVERATRINE B MALEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H63NO15.C4H4O4
Molecular Weight	926.0088
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.[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=WIWCPBACAHRLCS-VNBGJTSYSA-N

InChI=1S/C41H63NO15.C4H4O4/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;5-3(6)1-2-4(7)8/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/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

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:55:26 UTC 2023` Edited by `admin` on `Sat Dec 16 04:55:26 UTC 2023`
Record UNII	ZY7MZX91C8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PROTOVERATRINE B MALEATE

Common Name

English

CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 3-(2,3-DIHYDROXY-2-METHYLBUTANOATE) 15-(2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.(R),16.BETA.)-, (2Z)-2-BUTENEDIOATE (SALT)

Common Name

English

Code System Code Type Description

FDA UNII

ZY7MZX91C8

Created by admin on Sat Dec 16 04:55:26 UTC 2023 , Edited by admin on Sat Dec 16 04:55:26 UTC 2023

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PUBCHEM

71587006

Created by admin on Sat Dec 16 04:55:26 UTC 2023 , Edited by admin on Sat Dec 16 04:55:26 UTC 2023

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CAS