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(1R,3R,6S,8R,11S,12S,14R,15S,16R)-7,7,12,16-tetramethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.0¹,³.0³,?.0¹²,¹?]octadecan-14-ol

(1R,3R,6S,8R,11S,12S,14R,15S,16R)-7,7,12,16-tetramethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.0¹,³.0³,?.0¹²,¹?]octadecan-14-ol

CAS: 860-79-7

Formula: C26H46N2O

SMILES: [H][C@@]12CC[C@]3([H])[C@]4(C[C@]14CC[C@]1(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]21C)CC[C@H](NC)C3(C)C

IUPAC: (1R,3R,6S,8R,11S,12S,14R,15S,16R)-7,7,12,16-tetramethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.0¹,³.0³,?.0¹²,¹?]octadecan-14-ol

InChI: InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26+/m0/s1

Composition: C (77.55%), H (11.52%), N (6.96%), O (3.97%)

Molar Mass: 402.667

Atom Count: 75

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 10
Exact Mass 402.361014109
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey GMNAPBAUIVITMI-RZWOIDSXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 119.79
Topological Polar Surface Area 44.29
Polarizability 48.67
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 860-79-7 $26.75-$116.19$26.75$38.22$52.74$89.43$116.19
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