| CAS Number | 20311-51-7 |
| Catalog Number | AG00BF6H(AGN-PC-0QTGZF) |
| Chemical Name | Solamargine |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| InChI | 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-/m1/s1 |
| InChI Key | MBWUSSKCCUMJHO-ZGXDEBHDSA-N |
| MDL Number | MFCD30207844 |
| Molecular Formula | C45H73NO15 |
| Molecular Weight | 868.0588 |
| SMILES | C[C@@]12[C@@]3([C@](C[C@]1([C@]4([C@](CC2)([C@]5(C)C(=CC4)C[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](CO)O6)CC5)[H])[H])[H])(O[C@@]9([C@H]3C)CC[C@@H](C)CN9)[H])[H] |
| UNII | 8KG991E7BN |
| Synonyms | beta-solamarine,
solamargine,
Solamargine,
20311-51-7,
Solamargin,
beta-Solamarine,
UNII-8KG991E7BN,
8KG991E7BN,
AC1L2K61,
CHEBI:9185,
3671-38-3,
NSC 407810,
Solamargin;|A-Solanigrine,
CHEMBL443114,
HY-N0069,
MFCD30207844,
AKOS030526705,
ZINC252474776,
DB12700,
N1375,
C10819,
b-D-Glucopyranoside, (3b,22a,25R)-spirosol-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(12)-O-[6-deoxy-a-L-mannopyranosyl-(14)]-,
beta-D-Glucopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-,
|A-Solanigrine,
Curaderm (TN),
SOLAMARIN, BETA,
D07ORO,
C45H73NO15,
KST-1A2603,
CID73611,
AR-1A5009,
NSC 94735,
C45-H73-N-O15,
ACN-047178,
CS-4159,
C026609,
(3|A,22|A,25r)-spirosol-5-en-3-yl 6-deoxy-|A-l-mannopyranosyl-(1->2)-[6-deoxy-|A-l-mannopyranosyl-(1->4)]-|A-d-glucopyranoside,
20737-42-2,
(1R)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycyclopent-2-ene-1-carbonitrile,
|