| CAS Number | 11032-79-4 |
| Catalog Number | AG01EH2R(AGN-PC-0P0J8U) |
| Chemical Name | 2-[(12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]prop-2-enal |
| EC Number | 234-266-6 |
| IUPAC Name | 2-[(12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]prop-2-enal |
| InChI | InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3 |
| InChI Key | LYTCVQQGCSNFJU-UHFFFAOYSA-N |
| MDL Number | MFCD03973114 |
| Molecular Formula | C50H70O14 |
| Molecular Weight | 895.0824 |
| SMILES | CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(CC=CC9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=C)C=O)O)C)C)(OC6(CC5)C)C |
| Synonyms | AC1L1DNW,
11032-79-4,
-Bungarotoxin,
Brevetoxin B,
alpha-Bgt,
beta-Bungarotoxin,
alpha-Bungarotoxin,
.alpha.-Bungarotoxin,
CID2432,
EINECS 234-266-6,
C338H529N97O105S11,
C338-H529-N97-O105-S11,
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