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name Structure Reference Source Properties Activities Metabolism

(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-10,12,13,14,16,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl (2R)-2-methylbutanoate

AlkaPlorer ID: AK015401

Synonym: None

IUPAC Name: [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-10,12,13,14,16,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2R)-2-methylbutanoate

Structure

SMILES: CC[C@@H](C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@H]4[C@]5(O)[C@@H](O)[C@H](O)[C@H]6[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@@H]5C[C@@]42O[C@]13O

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InChI: InChI=1S/C32H51NO9/c1-6-16(3)27(37)41-22-9-10-28(4)20-11-19(34)25-30(28,42-32(20,22)40)12-18-17-14-33-13-15(2)7-8-21(33)29(5,38)23(17)24(35)26(36)31(18,25)39/h15-26,34-36,38-40H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20-,21-,22-,23+,24+,25+,26-,28-,29+,30+,31-,32-/m0/s1

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InChIKey: SGTJIQOCQLGWBX-UQTBZQPJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Veratrum album Veratrum Melanthiaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 593.7580000000003

TPSA？: 160.14999999999998

MolLogP？: 0.7829000000000015

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information