19-Norlanost-5-en-11-one, 25-(acetyloxy)-3-(β-D-glucopyranosyloxy)-16,20,22-trihydroxy-9-methyl-, (3β,9β,10α,16α)-
CAS Registry Number®
178062-95-8
CAS Name
19-Norlanost-5-en-11-one, 25-(acetyloxy)-3-(β-D-glucopyranosyloxy)-16,20,22-trihydroxy-9-methyl-, (3β,9β,10α,16α)-Molecular Formula
C38H62O12Molecular Mass
710.89Cite this Page
19-Norlanost-5-en-11-one, 25-(acetyloxy)-3-(β-D-glucopyranosyloxy)-16,20,22-trihydroxy-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=178062-95-8 (retrieved ) (CAS RN: 178062-95-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C38H62O12/c1-19(40)50-33(2,3)15-14-25(42)38(9,47)31-22(41)16-35(6)24-12-10-20-21(37(24,8)26(43)17-36(31,35)7)11-13-27(34(20,4)5)49-32-30(46)29(45)28(44)23(18-39)48-32/h10,21-25,27-32,39,41-42,44-47H,11-18H2,1-9H3/t21-,22-,23-,24+,25?,27+,28-,29+,30-,31+,32+,35+,36-,37+,38+/m1/s1
InChIKey
InChIKey=MLRANCIIGOHULD-BMTZWGENSA-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](O)[C@H](O)[C@H]5O)CC4)[H])C(=O)C[C@]1(C)[C@@]([C@@](C(CCC(OC(C)=O)(C)C)O)(C)O)([C@H](O)C2)[H])[H]
Canonical SMILES
O=C(OC(C)(C)CCC(O)C(O)(C)C1C(O)CC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C(=O)CC12C)C)C
Other Names for this Substance
- 19-Norlanost-5-en-11-one, 25-(acetyloxy)-3-(β-D-glucopyranosyloxy)-16,20,22-trihydroxy-9-methyl-, (3β,9β,10α,16α)-