IPHAB Toxins

No vector species registered

Wendy Strangman, 2016: Strangman, W., Anttila, M., Tomas, C., & Wright, J. L. (2016). (5 S)-5-[(4a R, 8a S, 9 E, 11 S, 13 R, 14 S, 16 R, 17 R, 19 S)-11, 19-Dihydroxy-8, 10, 13, 16-tetramethyl-18-methylidene-3, 4, 5, 6, 8a, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21-hexadecahydro-2 H-14, 17-epoxybenzo [2, 3] cyclohexadeca [1, 2-b] pyridine-7-yl]-3-methylfuran-2 (5 H)-one (12-Methylgymnodimine B). Molbank, 2016(2), M896.

Structure
Formula: C33H47NO5
Exact mono-isotopic mass: 537.34542
Molfile: n/a
Alternative molfiles: n/a
SMILES: N1=C2[C@]3(CCC1)[C@H](C(=C(CC3)C1C=C(C(=O)O1)C)C)/C=C(\C)/[C@H](C[C@H](C1C[C@H](C(C(=C)[C@H](CC2)O)O1)C)C)O
Alternative SMILES: N1(=C4(C2(CCC1)(C(C(=C(CC2)C3(C=C(C(=O)O3)C))C)C=C(C)C(CC(C5(CC(C(C(=C)C(CC4)O)O5)C))C)O)))
InChi key: LIQCBTBVLUNCBK-VRIDBTFQSA-N
Alternative InChi keys: n/a
InChi: InChI=1S/C33H47NO5/c1-18-14-25-22(5)24(29-17-21(4)32(37)39-29)10-12-33(25)11-7-13-34-30(33)9-8-26(35)23(6)31-20(3)16-28(38-31)19(2)15-27(18)36/h14,17,19-20,25-29,31,35-36H,6-13,15-16H2,1-5H3/b18-14+/t19-,20-,25+,26+,27+,28?,29?,31?,33+/m1/s1
Alternative InChis
Spectra available: Unknown
Chem files

Wendy Strangman, 2016: Strangman, W., Anttila, M., Tomas, C., & Wright, J. L. (2016). (5 S)-5-[(4a R, 8a S, 9 E, 11 S, 13 R, 14 S, 16 R, 17 R, 19 S)-11, 19-Dihydroxy-8, 10, 13, 16-tetramethyl-18-methylidene-3, 4, 5, 6, 8a, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21-hexadecahydro-2 H-14, 17-epoxybenzo [2, 3] cyclohexadeca [1, 2-b] pyridine-7-yl]-3-methylfuran-2 (5 H)-one (12-Methylgymnodimine B). Molbank, 2016(2), M896.

Certified

False

Certified links

n/a

Non certified reference material

Unknown

12-Methylgymnodimine-B