For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Holacurtine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Holacurtine
SpectraBase Compound ID JogK0gYESdk
InChI InChI=1S/C29H49NO5/c1-17(31)21-11-14-29(32)23-8-7-19-15-20(9-12-27(19,3)22(23)10-13-28(21,29)4)35-25-16-24(33-6)26(30-5)18(2)34-25/h18-26,30,32H,7-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24+,25+,26-,27+,28-,29+/m1/s1
InChIKey VPLNNEMLBWLRFQ-LRGQOBMHSA-N
Mol Weight 491.7 g/mol
Molecular Formula C29H49NO5
Exact Mass 491.361074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I021w8aSsXf
Name Holacurtine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49NO5
InChI InChI=1S/C29H49NO5/c1-17(31)21-11-14-29(32)23-8-7-19-15-20(9-12-27(19,3)22(23)10-13-28(21,29)4)35-25-16-24(33-6)26(30-5)18(2)34-25/h18-26,30,32H,7-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24+,25+,26-,27+,28-,29+/m1/s1
InChIKey VPLNNEMLBWLRFQ-LRGQOBMHSA-N
Molecular Weight 491.713 g/mol
SMILES N([C@@]1([C@](O[C@@](O[C@]2(CC[C@@]3([C@]4(CC[C@]5([C@](CC[C@@]5(C(=O)C)[H])([C@@]4(CC[C@]3(C2)[H])[H])O)C)[H])C)[H])(C[C@@]1(OC)[H])[H])(C)[H])[H])C
SPLASH splash10-014i-0349500000-7d347087fba74fa8bb25
Source of Spectrum G4-61-1335-1
Synonyms 1-[(3S,5S,8R,9S,10S,13R,14S,17S)-14-hydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone 1-[(3S,5S,8R,9S,10S,13R,14S,17S)-14-hydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-(methylamino)tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone 1-[(3S,5S,8R,9S,10S,13R,14S,17S)-14-hydroxy-3-[[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-(methylamino)-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone 1-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Wiley ID 1607496