BASCOPASAPONIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H74O17
Molecular Weight	899.0696
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]9(O[C@@H]1[C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CO[C@@]1([H])O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC[C@]6([H])[C@]7([H])[C@]8(C[C@@]56CO8)OC[C@@H](C=C(C)C)[C@]7(C)O)C3(C)C)O[C@@H](CO)[C@H](O)[C@H]9O

InChI

InChIKey=ZOFQVMPJZHCDBS-MUUHSGPCSA-N

InChI=1S/C46H74O17/c1-21(2)14-22-17-57-46-19-45(20-58-46)23(37(46)44(22,7)55)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)61-40-36(63-38-33(53)31(51)26(16-48)60-38)35(24(49)18-56-40)62-39-34(54)32(52)30(50)25(15-47)59-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3/t22-,23-,24+,25-,26+,27+,28-,29+,30-,31+,32+,33-,34-,35+,36-,37+,38+,39+,40+,42+,43-,44+,45+,46-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C46H74O17
Molecular Weight	899.0696
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	23 / 24
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:13:09 GMT 2023` Edited by `admin` on `Sat Dec 16 08:13:09 GMT 2023`
Record UNII	26FG38011G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BASCOPASAPONIN C

Common Name

English

BASCOPASAPONIN C, (-)-

Common Name

English

BASCOPASAPONIN C (CONSTITUENT OF BACOPA) [DSC]

Common Name

English

Code System Code Type Description

FDA UNII

26FG38011G

Created by admin on Sat Dec 16 08:13:09 GMT 2023 , Edited by admin on Sat Dec 16 08:13:09 GMT 2023

PRIMARY

PUBCHEM

21599443

Created by admin on Sat Dec 16 08:13:09 GMT 2023 , Edited by admin on Sat Dec 16 08:13:09 GMT 2023

PRIMARY

CAS

178064-13-6

Created by admin on Sat Dec 16 08:13:09 GMT 2023 , Edited by admin on Sat Dec 16 08:13:09 GMT 2023

PRIMARY