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Table 2 NMR spectroscopic data of compound 2 (500 and 125 MHz, CDCl3, respectively)

From: Bioassay-guided isolation and in Silico characterization of cytotoxic compounds from Hemimycale sp. Sponge targeting A549 lung cancer cells

NO.

δH, integr, mult. (J in Hz)

δC, type

HCOSY (1H 1 1H)

HMBC (1H→13C)

NOESY (1H 1 1H)

1

1.64, 2 H, m

37.0 t

H2, H11

-

-

2

1.92, 2 H, m

21.2 t

H1, H3

-

-

3

1.52, 2 H, m

27.1 t

H2, H4

-

-

4

1.79, 1 H, m

37.6 d

H3

-

H11

5

-

41.2 s

-

-

 

6

6 a: 2.36, 1 H, d (13.6)

6 b: 2.40, 1 H, d (13.6)

42.4 t

-

C-4, C-5, C-7, C-11

-

7

-

175.7 s

-

-

-

8

4.32, 1 H, m

69.7 d

H12a, H12b

-

H13, H14, H15

9

-

161.7 s

-

-

-

10

-

40.3 s

-

-

-

11

1.34, 1 H, m

49.5 d

H1

-

H-4

12

12 a: 1.23, 1 H, m

12 b: 2.24, 1 H, m

37.3 t

H8

-

-

13

0.94, 3 H, d (6.6)

16.2 q

H-4

C-3, C-4, C-5

H8, H14, H15

14

0.86, 3 H, s

17.2 q

-

C-4, C-6, C-11

H8, H13, H15

15

1.06, 3 H, s

21.0 q

-

C-9, C-10, C-11,

C-12

H8, H13, H14

16

16 a: 4.75, 1 H, brs

16 b: 4.94, 1 H, brs

99.7 t

-

C-8, C-10

-