19-Norlanost-5-en-11-one, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-16,20,22,25-tetrahydroxy-9-methyl-, (3β,9β,10α,16α)-
CAS Registry Number®
178062-94-7
CAS Name
19-Norlanost-5-en-11-one, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-16,20,22,25-tetrahydroxy-9-methyl-, (3β,9β,10α,16α)-Molecular Formula
C42H70O16Molecular Mass
831.00Cite this Page
19-Norlanost-5-en-11-one, 3-[(6-O-β-D-glucopyranosyl-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=178062-94-7 (retrieved ) (CAS RN: 178062-94-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H70O16/c1-37(2,53)14-13-25(45)42(8,54)34-21(44)15-39(5)24-11-9-19-20(41(24,7)26(46)16-40(34,39)6)10-12-27(38(19,3)4)58-36-33(52)31(50)29(48)23(57-36)18-55-35-32(51)30(49)28(47)22(17-43)56-35/h9,20-25,27-36,43-45,47-54H,10-18H2,1-8H3/t20-,21-,22-,23-,24+,25?,27+,28-,29-,30+,31+,32-,33-,34+,35-,36+,39+,40-,41+,42+/m1/s1
InChIKey
InChIKey=RLSXWJUYUFUJLU-SRFJWJPASA-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](O)[C@H]5O)CC4)[H])C(=O)C[C@]1(C)[C@@]([C@@]([C@@H](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(O)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-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-16,20,22,25-tetrahydroxy-9-methyl-, (3β,9β,10α,16α)-
