9,19-Cycloergostane-4-carboxylic acid, 22,28-epoxy-1,3,24,28-tetrahydroxy-4,14-dimethyl-, β-D-glucopyranosyl ester, (1α,3β,4α,5α,22R,24S)-
CAS Registry Number®
1392-82-1
CAS Name
9,19-Cycloergostane-4-carboxylic acid, 22,28-epoxy-1,3,24,28-tetrahydroxy-4,14-dimethyl-, β-D-glucopyranosyl ester, (1α,3β,4α,5α,22R,24S)-Molecular Formula
C37H60O12Molecular Mass
696.87Cite this Page
9,19-Cycloergostane-4-carboxylic acid, 22,28-epoxy-1,3,24,28-tetrahydroxy-4,14-dimethyl-, β-D-glucopyranosyl ester, (1α,3β,4α,5α,22R,24S)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1392-82-1 (retrieved ) (CAS RN: 1392-82-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H60O12/c1-17(2)37(46)14-20(48-31(37)45)18(3)19-9-10-33(5)22-7-8-23-34(6,30(44)49-29-28(43)27(42)26(41)21(15-38)47-29)24(39)13-25(40)36(23)16-35(22,36)12-11-32(19,33)4/h17-29,31,38-43,45-46H,7-16H2,1-6H3
InChIKey
InChIKey=KKUOJZVNLJCTPF-UHFFFAOYSA-N
SMILES
OC1C23C4(C2)C(C5(C)C(C)(CC4)C(C(C)C6CC(C(C)C)(O)C(O)O6)CC5)CCC3C(C(OC7OC(CO)C(O)C(O)C7O)=O)(C)C(O)C1
Canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)C(O)CC(O)C34CC54CCC6(C)C(CCC6(C)C5CCC23)C(C)C7OC(O)C(O)(C7)C(C)C
Other Names for this Substance
- 9,19-Cycloergostane-4-carboxylic acid, 22,28-epoxy-1,3,24,28-tetrahydroxy-4,14-dimethyl-, β-D-glucopyranosyl ester, (1α,3β,4α,5α,22R,24S)-
- Passiflorin
Deleted or Replaced CAS Registry Numbers
58781-29-6