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C₄₂H₆₉NO₁₀CAS 187166-40-1748.01 g/mol

Open in Covalent MOL file

Acetal Alkene Ester Ether Ketone Lactone Tertiary amine

Properties

Molecular formula: C₄₂H₆₉NO₁₀
Molar mass: 748.01 g/mol
Exact mass: 747.4921 Da
logP: 6.10Crippen estimate
Polar surface area: 111.2 Å²
H-bond donors / acceptors: 0 / 11
Rotatable bonds: 10
Stereocentres: R, S, S, R, R, R, R, S, R, S, R, S, R, S, S, R, Rin SMILES atom order

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H361f Suspected of damaging fertility33.7% of notifiers
H400 Very toxic to aquatic life33.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects33.7% of notifiers
H411 Toxic to aquatic life with long lasting effects19.3% of notifiers

Aggregated from 83 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

187166-40-1

SMILES

CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@@H](C=C5C(=O)[C@H](C)[C@@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)CCC[C@H](CC)OC(=O)C[C@H]54)[C@@H]3C2)[C@@H]1OC

InChIKey

GOENIMGKWNZVDA-RWGFPKGXSA-N

InChI

InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

1H-As-indaceno[3,2-D]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3A,4,5,5A,5B,6,9,10,11,12,13,14,16A,16B-hexadecahydro-14-methyl-, (2R,3ar,5ar,5bs,9S,13S,14R,16as,16br)-
1H-As-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-14-methyl-, [2R-(2R*,3aR*,5aR*,5bS*,9S*,13S*,14R*,16aS*,16bR*)]-
(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-2-[(6-Deoxy-3-O-ethyl-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-14-methyl-1H-as-indaceno[3,2-d]oxacyclododecin-7,15-dione
DE 175J
XDE 175J

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Elsewhere

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