19-Norlanost-5-en-11-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-16,20,22,25-tetrahydroxy-9-methyl-, (3β,9β,10α,16α)-
CAS Registry Number®
CAS Name
19-Norlanost-5-en-11-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-16,20,22,25-tetrahydroxy-9-methyl-, (3β,9β,10α,16α)-Molecular Formula
C48H80O20Molecular Mass
977.14Cite this Page
19-Norlanost-5-en-11-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-16,20,22,25-tetrahydroxy-9-methyl-, (3β,9β,10α,16α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=251102-63-3 (retrieved ) (CAS RN: 251102-63-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C48H80O20/c1-20-30(53)32(55)36(59)41(64-20)68-38-25(19-63-40-35(58)33(56)31(54)24(18-49)65-40)66-42(37(60)34(38)57)67-29-13-11-22-21(44(29,4)5)10-12-26-45(6)16-23(50)39(46(45,7)17-28(52)47(22,26)8)48(9,62)27(51)14-15-43(2,3)61/h10,20,22-27,29-42,49-51,53-62H,11-19H2,1-9H3/t20-,22+,23+,24+,25+,26-,27?,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39-,40+,41-,42-,45-,46+,47-,48-/m0/s1
InChIKey
InChIKey=SDJJKTYFMLJFRO-UGXQTLSSSA-N
SMILES
C[C@]12[C@]3([C@](C)([C@]4(C(=CC3)C(C)(C)[C@@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@H](O)[C@H]5O)CC4)[H])C(=O)C[C@]1(C)[C@@]([C@@](C(CCC(C)(C)O)O)(C)O)([C@H](O)C2)[H])[H]
Canonical SMILES
O=C1CC2(C)C(C(O)CC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(OC7OC(C)C(O)C(O)C7O)C(O)C5O)C4(C)C)C13C)C(O)(C)C(O)CCC(O)(C)C
Other Names for this Substance
- 19-Norlanost-5-en-11-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-16,20,22,25-tetrahydroxy-9-methyl-, (3β,9β,10α,16α)-
Deleted or Replaced CAS Registry Numbers
2098792-44-8
