O-Deacetylgerminaline

[(6S,9S,10S,12R,14S,16R,19S,22S,23S,25R)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-22-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-hydroxy-2-methylbutanoate

CAS: 63951-45-1

Molecular Formula	`C37H59NO11`
Molecular Weight	693.9 g/mol
LogP	2.0
Topological Polar Surface Area	186.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	693.4088
Heavy Atoms	49
Complexity	1370.0

Chemical Identifiers

CAS Number	63951-45-1
SMILES	`CCC(C)C(=O)OC1CCC2(C3C1(OC24CC5C6CN7CC(CCC7C(C6C(C(C5(C4C(C3)O)O)OC(=O)C(C)(CC)O)O)(C)O)C)O)C`
InChIKey	`SGYGAUUUPXBOSA-PTSVTHRZSA-N`

📖 Product Overview

O-Deacetylgerminaline (CAS: 63951-45-1) is a chemical compound with molecular formula C37H59NO11 and molecular weight 693.9 g/mol. Its IUPAC systematic name is [(6S,9S,10S,12R,14S,16R,19S,22S,23S,25R)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-22-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-hydroxy-2-methylbutanoate. LogP 2.0 Topological Polar Surface Area 186.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 12 Rotatable Bonds 8 Exact Mass 693.4088 Heavy Atoms 49 Complexity 1370.0 InChI Key: SGYGAUUUPXBOSA-PTSVTHRZSA-N. SMILES: CCC(C)C(=O)OC1CCC2(C3C1(OC24CC5C6CN7CC(CCC7C(C6C(C(C5(C4C(C3)O)O)OC(=O)C(C)(CC)O)O)(C)O)C)O)C.

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