9,19-Cyclolanostan-28-oic acid, 1,3,20,24-tetrahydroxy-24-(hydroxymethyl)-, β-D-glucopyranosyl ester, (1α,3β,4α,24S)-
CAS Registry Number®
CAS Name
9,19-Cyclolanostan-28-oic acid, 1,3,20,24-tetrahydroxy-24-(hydroxymethyl)-, β-D-glucopyranosyl ester, (1α,3β,4α,24S)-Molecular Formula
C37H62O12Molecular Mass
698.88Cite this Page
9,19-Cyclolanostan-28-oic acid, 1,3,20,24-tetrahydroxy-24-(hydroxymethyl)-, β-D-glucopyranosyl ester, (1α,3β,4α,24S)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=292167-41-0 (retrieved ) (CAS RN: 292167-41-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H62O12/c1-19(2)36(47,18-39)14-12-33(5,46)21-9-10-31(3)22-7-8-23-34(6,30(45)49-29-28(44)27(43)26(42)20(16-38)48-29)24(40)15-25(41)37(23)17-35(22,37)13-11-32(21,31)4/h19-29,38-44,46-47H,7-18H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,27+,28-,29+,31+,32-,33+,34+,35+,36-,37-/m1/s1
InChIKey
InChIKey=SDQDTRRWJPGVGF-DOHPBLDKSA-N
SMILES
O[C@@H]1[C@]23[C@]4([C@]([C@@]5(C)[C@](C)(CC4)[C@@]([C@@](CC[C@](C(C)C)(CO)O)(C)O)(CC5)[H])(CC[C@]2([C@@](C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=O)(C)[C@@H](O)C1)[H])[H])C3
Canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)C(O)CC(O)C34CC54CCC6(C)C(CCC6(C)C5CCC23)C(O)(C)CCC(O)(CO)C(C)C
Other Names for this Substance
- 9,19-Cyclolanostan-28-oic acid, 1,3,20,24-tetrahydroxy-24-(hydroxymethyl)-, β-D-glucopyranosyl ester, (1α,3β,4α,24S)-
- Cyclopassifloside IV