1-HYDROXY-14-(2-HYDROXYPROPAN-2-YL)-13-METHYL-4,7,10-TRIOXAPENTACYCLO[6.4.1.1^{9,12}.0^{3,5}.0^{5,13}]TETRADECANE-6,11-DIONE; [1-HYDROXY-13-METHYL-6-OXO-14-(PROP-1-EN-2-YL)-4,7,10-TRIOXAPENTACYCLO[6.4.1.1^{9,12}.0^{3,5}.0^{5,13}]TETRADECAN-11-YLIDENE]OXIDANIUM | CAS 124-87-8

Catalog Id:
MM124878

IUPAC:
PICROTOXIN

CAS Number:
124-87-8

Molecular Weight:
603.596

Formula:
C30H35O13

SMILES:
CC(=C)C1C2OC(=[OH+])C1C1(O)CC3OC33C(=O)OC2C13C.CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC33C(=O)OC2C13C

Preferred IUPAC Name:
1-HYDROXY-14-(2-HYDROXYPROPAN-2-YL)-13-METHYL-4,7,10-TRIOXAPENTACYCLO[6.4.1.1^{9,12}.0^{3,5}.0^{5,13}]TETRADECANE-6,11-DIONE; [1-HYDROXY-13-METHYL-6-OXO-14-(PROP-1-EN-2-YL)-4,7,10-TRIOXAPENTACYCLO[6.4.1.1^{9,12}.0^{3,5}.0^{5,13}]TETRADECAN-11-YLIDENE]OXIDANIUM

InChIKey:
InChIKey=VJKUPQSHOVKBCO-UHFFFAOYNA-O

Categories:
Aliphatic Cyclic Structures, Aliphatic Heterocycles, Aromatic Heterocycles, Heterocyclic Compounds, Alcohols, Esters, Epoxides