(25S)-5β-spirostan-3β-ol 3-O-β-D- glucoside

Chemical Formula:

C₃₃H₅₄O₈

Molecular Weight:

578.785 Daltons

Monoisotopic Mass:

578.3818687102 Daltons

SMILES:

CC1(COC2(CC1)(C(C)[CH]3(C5(C)([CH](C[CH](O2)3)[CH]4(CC[CH]7(C(C)([CH]4CC5)CCC(OC6(OC(CO)C(O)C(O)C(O)6))C7))))))

InChI:

1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1

InChIKey:

ZNEIIZNXGCIAAL-TXUJEBAWSA-N

Synonyms

(25S)-5-β-spirostan-3-β-ol 3-0-β-D-glucoside

Databases

MetaCyc: 25S-5-BETA-SPIROSTAN-3-BETA-OL-3-O-BET

PubChem (CID): 440454

HMDB: HMDB30046

ChemSpider: 389388

KEGG: C08886

ChEBI: 15579

MetaNetX: MNXM4166