D-myo-Inositol,4-[(3S,6'aR,7'S,9'R)-6-bromo-1,1',2,2',3',4',5',6',6'a,7',9',10'-dodecahydro-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[3H-indole-3,8'-[8H]pyrido[1,2-f]pteridine]-7'-carboxyla

Modify Date: 2025-09-30 14:28:50

D-myo-Inositol,4-[(3S,6'aR,7'S,9'R)-6-bromo-1,1',2,2',3',4',5',6',6'a,7',9',10'-dodecahydro-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[3H-indole-3,8'-[8H]pyrido[1,2-f]pteridine]-7'-carboxyla structure	Common Name	D-myo-Inositol,4-[(3S,6'aR,7'S,9'R)-6-bromo-1,1',2,2',3',4',5',6',6'a,7',9',10'-dodecahydro-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[3H-indole-3,8'-[8H]pyrido[1,2-f]pteridine]-7'-carboxyla
	CAS Number	40957-92-4	Molecular Weight	684.40400
	Density	2.32g/cm3	Boiling Point	N/A
	Molecular Formula	C₂₅H₂₆BrN₅O₁₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	[(2S,3R,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] (3S,6'aR,7'S,9'R)-6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,5,6,7-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate
Synonym	More Synonyms

Density	2.32g/cm3
Molecular Formula	C₂₅H₂₆BrN₅O₁₃
Molecular Weight	684.40400
Exact Mass	683.07100
PSA	287.88000
Index of Refraction	1.922
InChIKey	BYUCWVNHAZPTMA-RVJSENRVSA-N
SMILES	CC1(O)C(=O)N2c3c([nH]c(=O)[nH]c3=O)NCC2(O)C(C(=O)OC2C(O)C(O)C(O)C(O)C2O)C12C(=O)Nc1cc(Br)ccc12

surugatoxin

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