SMILACIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H84O22
Molecular Weight	1049.1995
Optical Activity	UNSPECIFIED
Defined Stereocenters	32 / 32
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@H](C)CO6)O2)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O

InChI

InChIKey=DLUTTXMPJCVUFR-HJCIYZGTSA-N

InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3/t20-,21-,22-,23+,24-,25+,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48+,49-,50-,51+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C51H84O22
Molecular Weight	1049.1995
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	31 / 32
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:08:09 GMT 2023` Edited by `admin` on `Sat Dec 16 09:08:09 GMT 2023`
Record UNII	7913T95W7U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SMILACIN

Common Name

English

SARSASAPONIN

Common Name

English

PARILLIN

Common Name

English

((25S)-5.BETA.-SPIROSTAN-3.BETA.-YL)4-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-2-O-(.BETA.-D-GLUCOPYRANOSYL)-6-O-(.BETA.-D-GLUCOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSIDE

Systematic Name

English

NSC-106552

Code

English

.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,5.BETA.,25S)-SPIROSTAN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-

Systematic Name

English

C08906

Code

English

SMILASAPONIN

Common Name

English

(3.BETA.,5.BETA.,25S)-SPIROSTAN-3-YL 6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-.BETA.-D-GLUCOPYRANOSIDE

Systematic Name

English

4-19-00-00836 (BEILSTEIN HANDBOOK REFERENCE)

Common Name

English

J15.521G

Code

English

Code System Code Type Description

CAS

19057-61-5