(1R,2S,3R,4R,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-3,16-diol

AlkaPlorer ID: AK057825

Synonym: None

IUPAC Name: None

Structure

SMILES: C[C@@H]1CC[C@@]2([NH2+]C1)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C

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InChI: InChI=1S/C27H45NO3/c1-15-7-12-27(28-14-15)16(2)21-24(31-27)23(30)22-19-6-5-17-13-18(29)8-10-25(17,3)20(19)9-11-26(21,22)4/h15-24,28-30H,5-14H2,1-4H3/p+1/t15-,16+,17+,18+,19-,20+,21+,22-,23-,24-,25+,26-,27-/m1/s1

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InChIKey: FBBNBCYJERUAGT-HOJQIBCSSA-O

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Reference

SuperNatural Ⅲ: SN0080894-03

NPASS: NPC5466

Properties Information

Molecule Weight: 432.6690000000003

TPSA: 66.3

MolLogP: 3.3114000000000017

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information