SONGAROSAPONIN D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H88O23
Molecular Weight	1105.2627
Optical Activity	UNSPECIFIED
Defined Stereocenters	31 / 31
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]56OC[C@@]7(CCC(C)(C)C[C@@H]57)[C@@H](O)C[C@@]46C)[C@]2(C)CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H]1O

InChI

InChIKey=OSGFJRKJEPQTRB-HMYKJLRXSA-N

InChI=1S/C54H88O23/c1-23-32(60)42(76-46-40(68)37(65)41(26(20-57)73-46)75-44-38(66)35(63)33(61)24(18-55)71-44)43(77-45-39(67)36(64)34(62)25(19-56)72-45)47(70-23)74-31-10-11-49(4)27(50(31,5)21-58)8-12-51(6)28(49)9-13-54-29-16-48(2,3)14-15-53(29,22-69-54)30(59)17-52(51,54)7/h9,13,23-47,55-68H,8,10-12,14-22H2,1-7H3/t23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,43-,44+,45+,46+,47+,49+,50+,51-,52+,53-,54+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C54H88O23
Molecular Weight	1105.2627
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:08:14 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:14 GMT 2025`
Record UNII	SC9P3ZVQ4T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SONGAROSAPONIN D

Common Name

English

CLINOPODISIDE B

Preferred Name

English

(2S,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6S)-4,5-DIHYDROXY-6-((2R,3R,4S,5S,6R)-5-HYDROXY-2-(((1S,2S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-HYDROXY-9-(HYDROXYMETHYL)-4,5,9,13,20,20-HEXAMETHYL-24-OXAHEXACYCLO(15.5.2.01,18.04,17.05,14.08,13)TETRACOS-15-EN-10-YL)OXY)-6-

Systematic Name

English

.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,4.ALPHA.,16.BETA.)-13,28-EPOXY-16,23-DIHYDROXYOLEAN-11-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-.BETA.-D-GLUCOPYRANOSYL-(1->3))-6-DEOXY-

Systematic Name

English

(3.BETA.,4.ALPHA.,16.BETA.)-13,28-EPOXY-16,23-DIHYDROXYOLEAN-11-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-.BETA.-D-GLUCOPYRANOSYL-(1->3))-6-DEOXY-.BETA.-D-GALACTOPYRANOSIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

SC9P3ZVQ4T

Created by admin on Mon Mar 31 22:08:14 GMT 2025 , Edited by admin on Mon Mar 31 22:08:14 GMT 2025

PRIMARY

PUBCHEM

101917118

Created by admin on Mon Mar 31 22:08:14 GMT 2025 , Edited by admin on Mon Mar 31 22:08:14 GMT 2025

PRIMARY

CAS

155762-41-7

Created by admin on Mon Mar 31 22:08:14 GMT 2025 , Edited by admin on Mon Mar 31 22:08:14 GMT 2025

PRIMARY

Related Record Type Details


					SC9P3ZVQ4T

SONGAROSAPONIN D

ACTIVE MOIETY