?-Solamarine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H73NO15
Molecular Weight	868.0588
Optical Activity	UNSPECIFIED
Defined Stereocenters	26 / 26
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)O[C@@]19CC[C@H](C)CN9

InChI

InChIKey=MBWUSSKCCUMJHO-SXCAMOPPSA-N

InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H73NO15
Molecular Weight	868.0588
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	26 / 26
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:22:23 GMT 2025` Edited by `admin` on `Mon Mar 31 19:22:23 GMT 2025`
Record UNII	VA3AN57LEG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

?-Solamarine

Common Name

English

NSC-94735

Preferred Name

English

(3?,22?,25S)-Spirosol-5-en-3-yl O-6-deoxy-?-L-mannopyranosyl-(1?2)-O-[6-deoxy-?-L-mannopyranosyl-(1?4)]-?-D-glucopyranoside

Systematic Name

English

?-Solamarin

Common Name

English

?-D-Glucopyranoside, (3?,22?,25S)-spirosol-5-en-3-yl O-6-deoxy-?-L-mannopyranosyl-(1?2)-O-[6-deoxy-?-L-mannopyranosyl-(1?4)]-

Systematic Name

English

Tomatid-5-en-3?-ol, 2,4-di-O-?-L-rhamnopyranosyl-?-D-glucopyranoside

Common Name

English

Code System Code Type Description

CAS

3671-38-3