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. 2022 Mar 31;27(7):2280. doi: 10.3390/molecules27072280

Table 1.

Identification and content of bufadienolides in Kalanchoe daigremontiana water extract using UHPLC-QTOF-MS analysis.

No. Identification RT
[min]
Meas.
m/z
[M + H]
Ion Formula Content
[ng/mg d. w.] *
1 tetrahydroxy-bufadienolide-rhamnoside 2.06 581.2954 C30H45O11 17.2 107.2 ± 9.1
2 tetrahydroxy-bufadienolide-dHex isomer 1 2.27 581.2953 C30H45O11 9.3 <LLOD
3 tetrahydroxy-oxo-bufadienolide-acetate isomer 1 2.71 491.2276 C26H35O9 7.1 186.8 ± 16.1
4 tetrahydroxy-bufadienolide-dHex isomer 2 2.94 581.2955 C30H45O11 3.7 <LLOD
5 bersaldegenin-acetate/bryophyllin-C isomer 1 3.68 475.2327 C26H35O8 13.7 35.6 ± 10.5
6 bryophyllin-B/bryotoxin-B isomer 1 4.81 489.2119 C26H33O9 19.2 113.4 ± 12.3
7 daigremontianin isomer 1 4.84 487.1965 C26H31O9 329.8 56.2 ± 8.2
8 bryophyllin-A/bryotoxin-C isomer 1 4.91 473.2174 C26H33O8 5.3 573.5 ± 27.2
9 bryophyllin-B/bryotoxin-B isomer 2 5.05 489.2122 C26H33O9 10.5 <LLOD
10 daigremontianin isomer 2 5.44 487.1967 C26H31O9 14.8 81.4 ± 4.5
11 bryophyllin-A/bryotoxin-C isomer 2 5.73 473.2172 C26H33O8 6.1 <LLOD
12 tetrahydroxy-oxo-bufadienolide-acetate isomer 2 6.06 477.2483 C26H37O8 13.3 <LLOD
13 daigremontianin isomer 3 6.23 487.1967 C26H31O9 8.8 <LLOD
14 bryophyllin-A/bryotoxin-C isomer 2 6.28 473.2175 C26H33O8 31.4 <LLOD
15 bersaldegenin-acetate/bryophyllin-C isomer 2 6.85 475.2332 C26H35O8 3.4 19.2 ± 3.6
16 daigredorigenin-acetate 8.20 461.2537 C26H37O7 7.5 2.0 ± 0.5
17 daigremontianin 8.32 487.1964 C26H31O9 2.6 399.4 ± 19.3
18 methyl-daigremonate isomer 1 10.43 503.2277 C27H35O9 3.0 <LLOD
19 methyl-daigremonate isomer 2 11.94 503.2281 C27H35O9 11.2 <LLOD
20 bersaldegenin-1,3,5-orthoacetate 13.86 457.2224 C26H33O7 6.8 757.4 ± 18.7
Total content
2332.1 ± 30

* Average values of bufadienolide content obtained from three repetitions of the experiment. Note: d.w.—dry weight; dHex—deoxyhexose; < LLOD—below the lower limit of detection.