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name Structure Reference Source Properties Activities Metabolism

(1'S,2R,2'R,3R,3aS,5'S,6S,7aR,10'S,11'S)-2',3,3a,6,15'-pentamethyl-5'-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6,7,7a-hexahydrospiro[furo[3,2-b]pyridine-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadecane]-7',15'-dien-17'-one

AlkaPlorer ID: AK088367

Synonym: None

IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',3'a,6',10,11b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,4,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one

Structure

SMILES: CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@@]1(C)[C@H]2C

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InChI: InChI=1S/C34H51NO8/c1-16-12-24-33(5,35-14-16)18(3)34(43-24)11-9-21-22-7-6-19-13-20(41-31-30(40)29(39)27(37)23(15-36)42-31)8-10-32(19,4)26(22)28(38)25(21)17(34)2/h6,16,18,20-24,26-27,29-31,35-37,39-40H,7-15H2,1-5H3/t16-,18+,20-,21-,22-,23+,24+,26+,27+,29-,30+,31+,32-,33-,34-/m0/s1

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InChIKey: FKGGPFFQCCRPAQ-DBMFUTLYSA-N

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Source

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

Properties Information

Molecule Weight: 601.7810000000002

TPSA？: 137.71

MolLogP？: 2.395199999999999

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information